CID 49774120

[2-(3-chlorophenyl)benzimidazol-1-yl]-(4-pyridyl)methanone

Structural Information

Molecular Formula
C19H12ClN3O
SMILES
C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC=NC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H12ClN3O/c20-15-5-3-4-14(12-15)18-22-16-6-1-2-7-17(16)23(18)19(24)13-8-10-21-11-9-13/h1-12H
InChIKey
QLNFXAXKRXHBFV-UHFFFAOYSA-N
Compound name
[2-(3-chlorophenyl)benzimidazol-1-yl]-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.0669 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07418 176.6
[M+Na]+ 356.05612 187.9
[M-H]- 332.05962 183.8
[M+NH4]+ 351.10072 189.4
[M+K]+ 372.03006 179.8
[M+H-H2O]+ 316.06416 165.7
[M+HCOO]- 378.06510 192.8
[M+CH3COO]- 392.08075 187.8
[M+Na-2H]- 354.04157 181.2
[M]+ 333.06635 180.4
[M]- 333.06745 180.4
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.