CID 490918

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

Structural Information

Molecular Formula
C31H34N4O3
SMILES
COC1=C(C=C(C=C1)C(CC=C)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)OC
InChI
InChI=1S/C31H34N4O3/c1-4-10-24(21-15-17-28(37-2)29(20-21)38-3)34-31(36)22-14-16-27-26(19-22)33-30(25-13-8-9-18-32-25)35(27)23-11-6-5-7-12-23/h4,8-9,13-20,23-24H,1,5-7,10-12H2,2-3H3,(H,34,36)
InChIKey
MWZASVHIRVGPBQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[1-(3,4-dimethoxyphenyl)but-3-enyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.2631 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.27038 226.7
[M+Na]+ 533.25232 229.8
[M-H]- 509.25582 235.2
[M+NH4]+ 528.29692 229.9
[M+K]+ 549.22626 222.6
[M+H-H2O]+ 493.26036 212.7
[M+HCOO]- 555.26130 240.6
[M+CH3COO]- 569.27695 231.9
[M+Na-2H]- 531.23777 223.6
[M]+ 510.26255 226.6
[M]- 510.26365 226.6
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.