CID 20872595

381725-50-4

Structural Information

Molecular Formula

C₁₆H₁₂N₂O

SMILES

C1=CC=C(C=C1)N2C=C(C=CC2=O)C3=CC=CC=N3

InChI

InChI=1S/C16H12N2O/c19-16-10-9-13(15-8-4-5-11-17-15)12-18(16)14-6-2-1-3-7-14/h1-12H

InChIKey

JHBMGQOABUXDND-UHFFFAOYSA-N

Compound name

1-phenyl-5-pyridin-2-ylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 248.09496 Da
Monoisotopic Mass: 2.1
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]+	249.10224	155.9
[M+Na]+	271.08418	174.3
[M+NH4]+	266.12878	164.9
[M+K]+	287.05812	164.9
[M-H]-	247.08768	162.5
[M+Na-2H]-	269.06963	169.4
[M]+	248.09441	160.7
[M]-	248.09551	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe