CID 20872595

1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one

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

97
Patents

248.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.102236 155.4
[M+Na]+ 271.084178 164.6
[M-H]- 247.087684 162.7
[M+NH4]+ 266.128783 169.3
[M+K]+ 287.058118 158.8
[M+H-H2O]+ 231.092220 145.2
[M+HCOO]- 293.093161 178.0
[M+CH3COO]- 307.108811 167.7
[M+Na-2H]- 269.069626 163.4
[M]+ 248.09441142 154.8
[M]- 248.09550858 154.8
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