CID 490972

N-(1h-benzimidazol-2-ylmethyl)-1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C27H26N6O
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCC4=NC5=CC=CC=C5N4)N=C2C6=CC=CC=N6
InChI
InChI=1S/C27H26N6O/c34-27(29-17-25-30-20-10-4-5-11-21(20)31-25)18-13-14-24-23(16-18)32-26(22-12-6-7-15-28-22)33(24)19-8-2-1-3-9-19/h4-7,10-16,19H,1-3,8-9,17H2,(H,29,34)(H,30,31)
InChIKey
NARGOXYMTCIFOQ-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)-1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.2168 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.22408 203.9
[M+Na]+ 473.20602 210.3
[M-H]- 449.20952 211.3
[M+NH4]+ 468.25062 209.4
[M+K]+ 489.17996 200.8
[M+H-H2O]+ 433.21406 190.7
[M+HCOO]- 495.21500 217.8
[M+CH3COO]- 509.23065 210.5
[M+Na-2H]- 471.19147 204.7
[M]+ 450.21625 201.5
[M]- 450.21735 201.5
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.