CID 490917

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

Structural Information

Molecular Formula
C31H36N4O3
SMILES
CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5
InChI
InChI=1S/C31H36N4O3/c1-20(2)29(21-14-16-27(37-3)28(19-21)38-4)34-31(36)22-13-15-26-25(18-22)33-30(24-12-8-9-17-32-24)35(26)23-10-6-5-7-11-23/h8-9,12-20,23,29H,5-7,10-11H2,1-4H3,(H,34,36)
InChIKey
HDQSEEQEBWMKHN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.27875 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.28603 226.6
[M+Na]+ 535.26797 229.1
[M-H]- 511.27147 235.3
[M+NH4]+ 530.31257 229.8
[M+K]+ 551.24191 223.2
[M+H-H2O]+ 495.27601 213.0
[M+HCOO]- 557.27695 239.5
[M+CH3COO]- 571.29260 231.7
[M+Na-2H]- 533.25342 222.7
[M]+ 512.27820 226.8
[M]- 512.27930 226.8
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.