CID 6476710
(e)-3-[4-[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]butanoylamino]phenyl]prop-2-enoic acid
Structural Information
- Molecular Formula
- C31H32N4O5
- SMILES
- CC(CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5
- InChI
- InChI=1S/C31H32N4O5/c1-20(17-28(36)33-24-11-7-21(8-12-24)9-14-29(37)38)32-31(39)22-10-13-27-26(18-22)34-30(23-15-16-40-19-23)35(27)25-5-3-2-4-6-25/h7-16,18-20,25H,2-6,17H2,1H3,(H,32,39)(H,33,36)(H,37,38)/b14-9+
- InChIKey
- WAWHPCFWBYHRGW-NTEUORMPSA-N
- Compound name
- (E)-3-[4-[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]butanoylamino]phenyl]prop-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 541.24452 | 227.4 |
[M+Na]+ | 563.22646 | 227.8 |
[M-H]- | 539.22996 | 237.5 |
[M+NH4]+ | 558.27106 | 230.1 |
[M+K]+ | 579.20040 | 224.0 |
[M+H-H2O]+ | 523.23450 | 216.9 |
[M+HCOO]- | 585.23544 | 241.4 |
[M+CH3COO]- | 599.25109 | 250.4 |
[M+Na-2H]- | 561.21191 | 222.1 |
[M]+ | 540.23669 | 226.3 |
[M]- | 540.23779 | 226.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.