CID 513893

Chembl174855

Structural Information

Molecular Formula
C27H28N4O3
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)OC
InChI
InChI=1S/C27H28N4O3/c1-33-24-14-12-19(17-25(24)34-2)29-27(32)18-11-13-23-22(16-18)30-26(21-10-6-7-15-28-21)31(23)20-8-4-3-5-9-20/h6-7,10-17,20H,3-5,8-9H2,1-2H3,(H,29,32)
InChIKey
ONAMHMYJUPKQQJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.21616 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22344 210.9
[M+Na]+ 479.20538 216.1
[M-H]- 455.20888 220.2
[M+NH4]+ 474.24998 216.7
[M+K]+ 495.17932 209.5
[M+H-H2O]+ 439.21342 197.4
[M+HCOO]- 501.21436 227.1
[M+CH3COO]- 515.23001 218.0
[M+Na-2H]- 477.19083 210.8
[M]+ 456.21561 210.9
[M]- 456.21671 210.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.