CID 15956462
Chembl439163
Structural Information
- Molecular Formula
- C24H30N4O4S
- SMILES
- CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCCS(=O)(=O)O
- InChI
- InChI=1S/C24H30N4O4S/c1-18(2)13-15-26-20-10-4-3-9-19(20)25-23(26)17-28-22-12-6-5-11-21(22)27(24(28)29)14-7-8-16-33(30,31)32/h3-6,9-12,18H,7-8,13-17H2,1-2H3,(H,30,31,32)
- InChIKey
- FTBGRYNSBDBXOV-UHFFFAOYSA-N
- Compound name
- 4-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]butane-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 471.20608 | 217.1 |
[M+Na]+ | 493.18802 | 227.8 |
[M-H]- | 469.19152 | 221.2 |
[M+NH4]+ | 488.23262 | 226.1 |
[M+K]+ | 509.16196 | 221.1 |
[M+H-H2O]+ | 453.19606 | 209.3 |
[M+HCOO]- | 515.19700 | 229.0 |
[M+CH3COO]- | 529.21265 | 231.4 |
[M+Na-2H]- | 491.17347 | 215.9 |
[M]+ | 470.19825 | 228.5 |
[M]- | 470.19935 | 228.5 |
Literature stripe
Patent stripe
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