CID 490908

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

Structural Information

Molecular Formula
C29H32N4O3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=NC=C4)C5CCCCC5)OC
InChI
InChI=1S/C29H32N4O3/c1-35-26-11-8-20(18-27(26)36-2)12-17-31-29(34)22-9-10-25-24(19-22)32-28(21-13-15-30-16-14-21)33(25)23-6-4-3-5-7-23/h8-11,13-16,18-19,23H,3-7,12,17H2,1-2H3,(H,31,34)
InChIKey
JCOIAULSAKRWDO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.24744 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.25472 219.3
[M+Na]+ 507.23666 223.5
[M-H]- 483.24016 228.1
[M+NH4]+ 502.28126 223.8
[M+K]+ 523.21060 216.5
[M+H-H2O]+ 467.24470 205.3
[M+HCOO]- 529.24564 234.8
[M+CH3COO]- 543.26129 225.4
[M+Na-2H]- 505.22211 218.2
[M]+ 484.24689 219.8
[M]- 484.24799 219.8
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.