CID 54719909

4-hydroxy-1,6-dimethyl-3-phenyl-pyridin-2-one

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=CC(=C(C(=O)N1C)C2=CC=CC=C2)O
InChI
InChI=1S/C13H13NO2/c1-9-8-11(15)12(13(16)14(9)2)10-6-4-3-5-7-10/h3-8,15H,1-2H3
InChIKey
FHQRXSPQJLDCLH-UHFFFAOYSA-N
Compound name
4-hydroxy-1,6-dimethyl-3-phenylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 145.0
[M+Na]+ 238.08386 155.7
[M-H]- 214.08736 150.3
[M+NH4]+ 233.12846 162.4
[M+K]+ 254.05780 151.6
[M+H-H2O]+ 198.09190 137.9
[M+HCOO]- 260.09284 167.6
[M+CH3COO]- 274.10849 187.0
[M+Na-2H]- 236.06931 150.4
[M]+ 215.09409 146.2
[M]- 215.09519 146.2
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.