CID 490916

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

Structural Information

Molecular Formula
C27H30N4O3
SMILES
COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)N4C=CC=C4)C5CCCCC5)OC
InChI
InChI=1S/C27H30N4O3/c1-33-24-13-10-19(16-25(24)34-2)18-28-26(32)20-11-12-23-22(17-20)29-27(30-14-6-7-15-30)31(23)21-8-4-3-5-9-21/h6-7,10-17,21H,3-5,8-9,18H2,1-2H3,(H,28,32)
InChIKey
UGABIWMJGOVRHI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.23178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.23906 210.1
[M+Na]+ 481.22100 215.1
[M-H]- 457.22450 220.1
[M+NH4]+ 476.26560 217.9
[M+K]+ 497.19494 209.1
[M+H-H2O]+ 441.22904 198.1
[M+HCOO]- 503.22998 227.5
[M+CH3COO]- 517.24563 217.7
[M+Na-2H]- 479.20645 207.1
[M]+ 458.23123 211.3
[M]- 458.23233 211.3
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.