CID 3012670

1-cyclohexyl-2-(3-furyl)-n-(1-{[(4'-hydroxybiphenyl-4-yl)amino]carbonyl}cyclopentyl)-1h-benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C36H36N4O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=C(C=C5)C6=CC=C(C=C6)O)N=C2C7=COC=C7
InChI
InChI=1S/C36H36N4O4/c41-30-15-10-25(11-16-30)24-8-13-28(14-9-24)37-35(43)36(19-4-5-20-36)39-34(42)26-12-17-32-31(22-26)38-33(27-18-21-44-23-27)40(32)29-6-2-1-3-7-29/h8-18,21-23,29,41H,1-7,19-20H2,(H,37,43)(H,39,42)
InChIKey
CZYCPANYBCEPGD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.2737 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.28098 229.2
[M+Na]+ 611.26292 229.9
[M-H]- 587.26642 245.5
[M+NH4]+ 606.30752 233.2
[M+K]+ 627.23686 225.4
[M+H-H2O]+ 571.27096 218.3
[M+HCOO]- 633.27190 243.4
[M+CH3COO]- 647.28755 234.3
[M+Na-2H]- 609.24837 223.1
[M]+ 588.27315 225.2
[M]- 588.27425 225.2
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.