CID 490927

1-cyclohexyl-n-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-(2-pyridyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C27H28N4O3
SMILES
COC1=C(C=CC(=C1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)O
InChI
InChI=1S/C27H28N4O3/c1-34-25-15-18(10-13-24(25)32)17-29-27(33)19-11-12-23-22(16-19)30-26(21-9-5-6-14-28-21)31(23)20-7-3-2-4-8-20/h5-6,9-16,20,32H,2-4,7-8,17H2,1H3,(H,29,33)
InChIKey
VNRNUNJHTQCWTJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.21616 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22344 210.1
[M+Na]+ 479.20538 214.8
[M-H]- 455.20888 218.1
[M+NH4]+ 474.24998 215.2
[M+K]+ 495.17932 207.6
[M+H-H2O]+ 439.21342 197.1
[M+HCOO]- 501.21436 224.9
[M+CH3COO]- 515.23001 216.6
[M+Na-2H]- 477.19083 209.8
[M]+ 456.21561 208.4
[M]- 456.21671 208.4
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.