CID 132933455

1606127-56-3

Structural Information

Molecular Formula
C18H13ClN2O2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CNC3=O
InChI
InChI=1S/C18H13ClN2O2/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)21-18(23)15-5-3-11-20-17(15)22/h1-11H,(H,20,22)(H,21,23)
InChIKey
ZYUBAIGTGFMEPF-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

324.06656 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07384 174.1
[M+Na]+ 347.05578 190.9
[M+NH4]+ 342.10038 182.0
[M+K]+ 363.02972 181.9
[M-H]- 323.05928 180.4
[M+Na-2H]- 345.04123 185.3
[M]+ 324.06601 178.7
[M]- 324.06711 178.7
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

patents stripe