CID 203430

14387-62-3

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

CCC1(C=C(C(=O)NC1=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO3/c1-2-13(9-6-4-3-5-7-9)8-10(15)11(16)14-12(13)17/h3-8,15H,2H2,1H3,(H,14,16,17)

InChIKey

QODRFVBHCWUAJM-UHFFFAOYSA-N

Compound name

3-ethyl-5-hydroxy-3-phenylpyridine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.08954 Da
Monoisotopic Mass: 1.8
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]+	232.096816	150.3
[M+Na]+	254.078758	158.7
[M-H]-	230.082264	153.5
[M+NH4]+	249.123363	167.6
[M+K]+	270.052698	154.4
[M+H-H2O]+	214.086800	143.7
[M+HCOO]-	276.087741	168.9
[M+CH3COO]-	290.103391	184.9
[M+Na-2H]-	252.064206	155.2
[M]+	231.08899142	147.5
[M]-	231.09008858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.