CID 490955

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

Structural Information

Molecular Formula
C32H38N4O3
SMILES
CC(C)CC(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/C32H38N4O3/c1-21(2)18-26(22-14-16-29(38-3)30(20-22)39-4)35-32(37)23-13-15-28-27(19-23)34-31(25-12-8-9-17-33-25)36(28)24-10-6-5-7-11-24/h8-9,12-17,19-21,24,26H,5-7,10-11,18H2,1-4H3,(H,35,37)
InChIKey
UNUIDSQICZAPTD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[1-(3,4-dimethoxyphenyl)-3-methylbutyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2944 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.30168 230.8
[M+Na]+ 549.28362 232.8
[M-H]- 525.28712 239.3
[M+NH4]+ 544.32822 233.4
[M+K]+ 565.25756 226.7
[M+H-H2O]+ 509.29166 217.0
[M+HCOO]- 571.29260 243.3
[M+CH3COO]- 585.30825 235.4
[M+Na-2H]- 547.26907 226.4
[M]+ 526.29385 231.2
[M]- 526.29495 231.2
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.