CID 5373687

13250-96-9

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=CC(=N2)C

InChI

InChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15)

InChIKey

KPXWNJGVBKCXKB-UHFFFAOYSA-N

Compound name

ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 61
Patents: 232.0848 Da
Monoisotopic Mass: 1.7
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]+	233.09208	150.0
[M+Na]+	255.07402	163.8
[M+NH4]+	250.11862	156.7
[M+K]+	271.04796	158.1
[M-H]-	231.07752	150.3
[M+Na-2H]-	253.05947	155.4
[M]+	232.08425	151.9
[M]-	232.08535	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe