CID 490974

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

Structural Information

Molecular Formula
C31H35N3O4
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)NCCC5=CC(=C(C=C5)OC)OC
InChI
InChI=1S/C31H35N3O4/c1-36-25-13-10-22(11-14-25)30-33-26-20-23(12-15-27(26)34(30)24-7-5-4-6-8-24)31(35)32-18-17-21-9-16-28(37-2)29(19-21)38-3/h9-16,19-20,24H,4-8,17-18H2,1-3H3,(H,32,35)
InChIKey
REDSETCAXSSLBW-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.26276 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.27004 227.5
[M+Na]+ 536.25198 231.4
[M-H]- 512.25548 237.7
[M+NH4]+ 531.29658 232.4
[M+K]+ 552.22592 225.4
[M+H-H2O]+ 496.26002 214.1
[M+HCOO]- 558.26096 243.7
[M+CH3COO]- 572.27661 233.6
[M+Na-2H]- 534.23743 224.8
[M]+ 513.26221 229.9
[M]- 513.26331 229.9
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.