RIpred (Beta) is still undergoing development. Please feel free to explore and use the predictor. Please provide us with your feedback..

Displaying retention index compounds 2426 - 2450 of 1722868 in total
RIpred ID Structure Name Chemical Structure Derivatization Type
Base compound Mass
GC Column/Stationary Phase Retention Index
Melphalan Flufenamide,3TMS,isomer#1JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)N(C(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)CTMS713.2834Standard non polar3336.0386
Melphalan Flufenamide,2TMS,isomer#2JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N([Si](C)(C)C)[Si](C)(C)CTMS641.2439Standard non polar3304.9626
Melphalan Flufenamide,2TMS,isomer#1JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)N(C(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N[Si](C)(C)C)[Si](C)(C)CTMS641.2439Standard non polar3237.1416
Melphalan Flufenamide,1TMS,isomer#2JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)N(C(=O)[C@@H](N)CC1=CC=C(N(CCCl)CCCl)C=C1)[Si](C)(C)CTMS569.2044Standard non polar3163.5667
Melphalan Flufenamide,1TMS,isomer#1JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N[Si](C)(C)CTMS569.2044Standard non polar3209.5713
Ibrexafungerp ,2TMS,isomer#2JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)OTMS873.5984Standard polar6044.802
Ibrexafungerp ,2TMS,isomer#1JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O[Si](C)(C)CTMS873.5984Standard polar5925.39
Ibrexafungerp ,2TMS,isomer#2JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)OTMS873.5984Semi standard non polar5340.626
Ibrexafungerp ,2TMS,isomer#1JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O[Si](C)(C)CTMS873.5984Semi standard non polar5035.353
Ibrexafungerp ,2TMS,isomer#2JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)OTMS873.5984Standard non polar5447.046
Ibrexafungerp ,2TMS,isomer#1JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O[Si](C)(C)CTMS873.5984Standard non polar5326.3525
Difelikefalin,3TMS,isomer#53JsmolCC(C)C[C@H](C(=O)N([C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)C)N(C(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)CTMS895.5243Standard polar8811.761
Difelikefalin,3TMS,isomer#52JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N([C@H](CCCCN)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)CTMS895.5243Standard polar8413.026
Difelikefalin,3TMS,isomer#51JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1TMS895.5243Standard polar8340.182
Difelikefalin,3TMS,isomer#50JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N([C@H](CCCCN)C(=O)N1CCC(N[Si](C)(C)C)(C(=O)O)CC1)[Si](C)(C)CTMS895.5243Standard polar8214.867
Difelikefalin,3TMS,isomer#49JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(N[Si](C)(C)C)(C(=O)O)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)CTMS895.5243Standard polar8234.191
Difelikefalin,3TMS,isomer#48JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)CTMS895.5243Standard polar8422.753
Difelikefalin,3TMS,isomer#47JsmolCC(C)C[C@H](C(=O)N([C@H](CCCCN)C(=O)N1CCC(N[Si](C)(C)C)(C(=O)O)CC1)[Si](C)(C)C)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)CTMS895.5243Standard polar8304.721
Difelikefalin,3TMS,isomer#46JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N([C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)CTMS895.5243Standard polar8549.367
Difelikefalin,3TMS,isomer#45JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1TMS895.5243Standard polar8477.861
Difelikefalin,3TMS,isomer#44JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N([C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)CTMS895.5243Standard polar8379.413
Difelikefalin,3TMS,isomer#43JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)CTMS895.5243Standard polar8397.294
Difelikefalin,3TMS,isomer#42JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)CTMS895.5243Standard polar8558.329
Difelikefalin,3TMS,isomer#41JsmolCC(C)C[C@H](C(=O)N([C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)C)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)CTMS895.5243Standard polar8467.305
Difelikefalin,3TMS,isomer#40JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1TMS895.5243Standard polar8010.0903
Displaying retention index compounds 2426 - 2450 of 1722868 in total