CID 122024
Ici 200355
Structural Information
- Molecular Formula
- C30H34BrF3N4O7S
- SMILES
- CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Br
- InChI
- InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24-/m0/s1
- InChIKey
- UUWIYANOKPHUQZ-OTKIHZFJSA-N
- Compound name
- 4-N-(4-bromophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]benzene-1,4-dicarboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 731.13564 | 243.7 |
[M+Na]+ | 753.11758 | 242.7 |
[M-H]- | 729.12108 | 248.1 |
[M+NH4]+ | 748.16218 | 243.5 |
[M+K]+ | 769.09152 | 234.1 |
[M+H-H2O]+ | 713.12562 | 238.6 |
[M+HCOO]- | 775.12656 | 244.6 |
[M+CH3COO]- | 789.14221 | 276.1 |
[M+Na-2H]- | 751.10303 | 237.8 |
[M]+ | 730.12781 | 258.6 |
[M]- | 730.12891 | 258.6 |