CID 139595262

Dtxsid001028372

Structural Information

Molecular Formula

C₁₈H₁₂Cl₂N₂O₂

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(NC(=O)C=C3)Cl

InChI

InChI=1S/C18H12Cl2N2O2/c19-12-7-5-11(6-8-12)13-3-1-2-4-15(13)21-18(24)14-9-10-16(23)22-17(14)20/h1-10H,(H,21,24)(H,22,23)

InChIKey

HMLFSHLLNMSSIM-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(4-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 358.0276 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	359.034876	178.2
[M+Na]+	381.016818	188.0
[M-H]-	357.020324	185.0
[M+NH4]+	376.061423	189.9
[M+K]+	396.990758	179.6
[M+H-H2O]+	341.024860	170.0
[M+HCOO]-	403.025801	190.8
[M+CH3COO]-	417.041451	188.6
[M+Na-2H]-	379.002266	181.3
[M]+	358.02705142	180.3
[M]-	358.02814858	180.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.