CID 6480786

Chembl487537

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₃

SMILES

CN1C=C(C(=O)C=C1C(=O)NC2=CC=CC=C2)O

InChI

InChI=1S/C13H12N2O3/c1-15-8-12(17)11(16)7-10(15)13(18)14-9-5-3-2-4-6-9/h2-8,17H,1H3,(H,14,18)

InChIKey

QECARUHRXDZMKE-UHFFFAOYSA-N

Compound name

5-hydroxy-1-methyl-4-oxo-N-phenylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 244.0848 Da
Monoisotopic Mass: 1.2
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]+	245.092076	152.1
[M+Na]+	267.074018	160.8
[M-H]-	243.077524	157.0
[M+NH4]+	262.118623	167.3
[M+K]+	283.047958	157.1
[M+H-H2O]+	227.082060	144.2
[M+HCOO]-	289.083001	175.0
[M+CH3COO]-	303.098651	192.5
[M+Na-2H]-	265.059466	157.3
[M]+	244.08425142	152.1
[M]-	244.08534858	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.