CID 3012668

4-({[1-({[1-cyclohexyl-2-(3-furyl)-1h-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)-3-methoxybenzoic acid

Structural Information

Molecular Formula
C32H34N4O6
SMILES
COC1=C(C=CC(=C1)C(=O)O)NC(=O)C2(CCCC2)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6
InChI
InChI=1S/C32H34N4O6/c1-41-27-18-21(30(38)39)9-11-24(27)34-31(40)32(14-5-6-15-32)35-29(37)20-10-12-26-25(17-20)33-28(22-13-16-42-19-22)36(26)23-7-3-2-4-8-23/h9-13,16-19,23H,2-8,14-15H2,1H3,(H,34,40)(H,35,37)(H,38,39)
InChIKey
HEPGYIKJMGGJCG-UHFFFAOYSA-N
Compound name
4-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.24786 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.25514 225.6
[M+Na]+ 593.23708 226.1
[M-H]- 569.24058 239.5
[M+NH4]+ 588.28168 230.6
[M+K]+ 609.21102 224.1
[M+H-H2O]+ 553.24512 216.5
[M+HCOO]- 615.24606 239.6
[M+CH3COO]- 629.26171 231.2
[M+Na-2H]- 591.22253 219.7
[M]+ 570.24731 224.4
[M]- 570.24841 224.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.