CID 490913

1-cyclohexyl-2-(2-pyridyl)-n-[(2,3,4-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C29H32N4O4
SMILES
COC1=C(C(=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)OC)OC
InChI
InChI=1S/C29H32N4O4/c1-35-25-15-13-20(26(36-2)27(25)37-3)18-31-29(34)19-12-14-24-23(17-19)32-28(22-11-7-8-16-30-22)33(24)21-9-5-4-6-10-21/h7-8,11-17,21H,4-6,9-10,18H2,1-3H3,(H,31,34)
InChIKey
XCUREWLQYLDSOS-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.24237 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.24965 222.7
[M+Na]+ 523.23159 227.4
[M-H]- 499.23509 232.0
[M+NH4]+ 518.27619 226.7
[M+K]+ 539.20553 221.5
[M+H-H2O]+ 483.23963 208.9
[M+HCOO]- 545.24057 238.3
[M+CH3COO]- 559.25622 229.0
[M+Na-2H]- 521.21704 221.1
[M]+ 500.24182 225.0
[M]- 500.24292 225.0
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.