CID 54708958

4-hydroxy-6-methyl-3-phenylpyridin-2(1h)-one

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=CC(=C(C(=O)N1)C2=CC=CC=C2)O

InChI

InChI=1S/C12H11NO2/c1-8-7-10(14)11(12(15)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)

InChIKey

PNJGEMBXMCQISU-UHFFFAOYSA-N

Compound name

4-hydroxy-6-methyl-3-phenyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.07898 Da
Monoisotopic Mass: 1.6
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]+	202.086256	141.5
[M+Na]+	224.068198	151.2
[M-H]-	200.071704	145.2
[M+NH4]+	219.112803	158.3
[M+K]+	240.042138	146.3
[M+H-H2O]+	184.076240	134.6
[M+HCOO]-	246.077181	162.9
[M+CH3COO]-	260.092831	180.3
[M+Na-2H]-	222.053646	147.6
[M]+	201.07843142	140.1
[M]-	201.07952858	140.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.