CID 490954

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

Structural Information

Molecular Formula
C30H34N4O3
SMILES
CCC(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/C30H34N4O3/c1-4-23(20-14-16-27(36-2)28(19-20)37-3)33-30(35)21-13-15-26-25(18-21)32-29(24-12-8-9-17-31-24)34(26)22-10-6-5-7-11-22/h8-9,12-19,22-23H,4-7,10-11H2,1-3H3,(H,33,35)
InChIKey
FRWADFIUVSFTRZ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[1-(3,4-dimethoxyphenyl)propyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2631 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.27038 223.1
[M+Na]+ 521.25232 226.4
[M-H]- 497.25582 231.9
[M+NH4]+ 516.29692 226.9
[M+K]+ 537.22626 220.0
[M+H-H2O]+ 481.26036 209.3
[M+HCOO]- 543.26130 237.3
[M+CH3COO]- 557.27695 228.7
[M+Na-2H]- 519.23777 220.6
[M]+ 498.26255 223.4
[M]- 498.26365 223.4
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.