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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 152.1
[M+Na]+ 267.07402 160.8
[M-H]- 243.07752 157.0
[M+NH4]+ 262.11862 167.3
[M+K]+ 283.04796 157.1
[M+H-H2O]+ 227.08206 144.2
[M+HCOO]- 289.08300 175.0
[M+CH3COO]- 303.09865 192.5
[M+Na-2H]- 265.05947 157.3
[M]+ 244.08425 152.1
[M]- 244.08535 152.1
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.