CID 490920

1-cyclohexyl-n-[(3,4-dimethoxyphenyl)methyl]-2-(6-methyl-2-pyridyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C29H32N4O3
SMILES
CC1=NC(=CC=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)NCC5=CC(=C(C=C5)OC)OC
InChI
InChI=1S/C29H32N4O3/c1-19-8-7-11-23(31-19)28-32-24-17-21(13-14-25(24)33(28)22-9-5-4-6-10-22)29(34)30-18-20-12-15-26(35-2)27(16-20)36-3/h7-8,11-17,22H,4-6,9-10,18H2,1-3H3,(H,30,34)
InChIKey
OVNVGEAVAXZJGB-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(6-methylpyridin-2-yl)benzimidazole-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 220.7
[M+Na]+ 507.23666 225.8
[M-H]- 483.24016 230.0
[M+NH4]+ 502.28126 225.5
[M+K]+ 523.21060 218.9
[M+H-H2O]+ 467.24470 207.0
[M+HCOO]- 529.24564 236.1
[M+CH3COO]- 543.26129 227.1
[M+Na-2H]- 505.22211 218.8
[M]+ 484.24689 221.7
[M]- 484.24799 221.7
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.