CID 3012657

N-(1-{[(6-chloropyridin-3-yl)amino]carbonyl}cyclopentyl)-1-cyclohexyl-2-(3-furyl)-1h-benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C29H30ClN5O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CN=C(C=C5)Cl)N=C2C6=COC=C6
InChI
InChI=1S/C29H30ClN5O3/c30-25-11-9-21(17-31-25)32-28(37)29(13-4-5-14-29)34-27(36)19-8-10-24-23(16-19)33-26(20-12-15-38-18-20)35(24)22-6-2-1-3-7-22/h8-12,15-18,22H,1-7,13-14H2,(H,32,37)(H,34,36)
InChIKey
FYFPXWXSIPLBLN-UHFFFAOYSA-N
Compound name
N-[1-[(6-chloropyridin-3-yl)carbamoyl]cyclopentyl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.20374 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.21102 220.8
[M+Na]+ 554.19296 224.2
[M-H]- 530.19646 234.2
[M+NH4]+ 549.23756 227.9
[M+K]+ 570.16690 218.9
[M+H-H2O]+ 514.20100 209.5
[M+HCOO]- 576.20194 231.8
[M+CH3COO]- 590.21759 227.1
[M+Na-2H]- 552.17841 215.6
[M]+ 531.20319 219.9
[M]- 531.20429 219.9
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.