CID 54713545

1-benzyl-4-hydroxy-6-methyl-3-phenyl-2-pyridon

Structural Information

Molecular Formula

C₁₉H₁₇NO₂

SMILES

CC1=CC(=C(C(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C19H17NO2/c1-14-12-17(21)18(16-10-6-3-7-11-16)19(22)20(14)13-15-8-4-2-5-9-15/h2-12,21H,13H2,1H3

InChIKey

RZBOPXHYKKLDBL-UHFFFAOYSA-N

Compound name

1-benzyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.12592 Da
Monoisotopic Mass: 3.3
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]+	292.133196	167.9
[M+Na]+	314.115138	177.1
[M-H]-	290.118644	175.6
[M+NH4]+	309.159743	181.3
[M+K]+	330.089078	170.9
[M+H-H2O]+	274.123180	158.5
[M+HCOO]-	336.124121	189.5
[M+CH3COO]-	350.139771	179.6
[M+Na-2H]-	312.100586	172.3
[M]+	291.12537142	168.3
[M]-	291.12646858	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.