CID 4421

Nalidixic acid

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O

InChI

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

InChIKey

MHWLWQUZZRMNGJ-UHFFFAOYSA-N

Compound name

1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 4962
References: 43468
Patents: 232.0848 Da
Monoisotopic Mass: 1.4
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	149.9
[M+Na]+	255.07402	164.1
[M+NH4]+	250.11862	156.6
[M+K]+	271.04796	158.5
[M-H]-	231.07752	150.2
[M+Na-2H]-	253.05947	155.0
[M]+	232.08425	151.9
[M]-	232.08535	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe