CID 490949

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

Structural Information

Molecular Formula
C31H36N4O3
SMILES
CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)OCC
InChI
InChI=1S/C31H36N4O3/c1-4-37-28-17-15-22(20-29(28)38-5-2)21(3)33-31(36)23-14-16-27-26(19-23)34-30(25-13-9-10-18-32-25)35(27)24-11-7-6-8-12-24/h9-10,13-21,24H,4-8,11-12H2,1-3H3,(H,33,36)
InChIKey
ABDKXODMYMWHKT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[1-(3,4-diethoxyphenyl)ethyl]-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

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.28603 227.3
[M+Na]+ 535.26797 230.1
[M-H]- 511.27147 235.8
[M+NH4]+ 530.31257 230.5
[M+K]+ 551.24191 223.5
[M+H-H2O]+ 495.27601 213.3
[M+HCOO]- 557.27695 241.0
[M+CH3COO]- 571.29260 232.4
[M+Na-2H]- 533.25342 224.2
[M]+ 512.27820 227.8
[M]- 512.27930 227.8
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.