CID 490912

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

Structural Information

Molecular Formula
C28H30N4O3
SMILES
COC1=CC(=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)OC
InChI
InChI=1S/C28H30N4O3/c1-34-22-13-11-20(26(17-22)35-2)18-30-28(33)19-12-14-25-24(16-19)31-27(23-10-6-7-15-29-23)32(25)21-8-4-3-5-9-21/h6-7,10-17,21H,3-5,8-9,18H2,1-2H3,(H,30,33)
InChIKey
ZJNGAHNRITYHDF-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.23178 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.23906 215.1
[M+Na]+ 493.22100 219.8
[M-H]- 469.22450 224.2
[M+NH4]+ 488.26560 220.2
[M+K]+ 509.19494 213.0
[M+H-H2O]+ 453.22904 201.4
[M+HCOO]- 515.22998 231.0
[M+CH3COO]- 529.24563 221.7
[M+Na-2H]- 491.20645 214.5
[M]+ 470.23123 215.3
[M]- 470.23233 215.3
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.