CID 5409063

90323-16-3

Structural Information

Molecular Formula

C₉H₇N₃O₃

SMILES

C1=CC(=NC2=C1C(=CC(=O)N2)C(=O)O)N

InChI

InChI=1S/C9H7N3O3/c10-6-2-1-4-5(9(14)15)3-7(13)12-8(4)11-6/h1-3H,(H,14,15)(H3,10,11,12,13)

InChIKey

BXHBQLMTFKNEOC-UHFFFAOYSA-N

Compound name

7-amino-2-oxo-1H-1,8-naphthyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 205.04874 Da
Monoisotopic Mass: -0.5
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]+	206.05602	140.6
[M+Na]+	228.03796	150.6
[M-H]-	204.04146	140.3
[M+NH4]+	223.08256	156.3
[M+K]+	244.01190	146.4
[M+H-H2O]+	188.04600	133.7
[M+HCOO]-	250.04694	159.8
[M+CH3COO]-	264.06259	182.9
[M+Na-2H]-	226.02341	147.2
[M]+	205.04819	138.4
[M]-	205.04929	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe