CID 135708802

208774-29-2

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC(=C2C(=C1)N=CNC2=O)C(=O)O

InChI

InChI=1S/C9H6N2O3/c12-8-7-5(9(13)14)2-1-3-6(7)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)

InChIKey

PYDJYFCOBRLDMO-UHFFFAOYSA-N

Compound name

4-oxo-3H-quinazoline-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 190.03784 Da
Monoisotopic Mass: 0.2
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]+	191.04512	136.9
[M+Na]+	213.02706	150.4
[M+NH4]+	208.07166	143.6
[M+K]+	229.00100	145.4
[M-H]-	189.03056	136.6
[M+Na-2H]-	211.01251	142.6
[M]+	190.03729	138.5
[M]-	190.03839	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe