CID 69418421

320727-00-2

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

C1C2=C(C=CC(=C2)C(=O)O)NC(=O)N1

InChI

InChI=1S/C9H8N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h1-3H,4H2,(H,12,13)(H2,10,11,14)

InChIKey

OTVNFOZHKCWFJX-UHFFFAOYSA-N

Compound name

2-oxo-3,4-dihydro-1H-quinazoline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.0535 Da
Monoisotopic Mass: 0.0
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]+	193.06078	139.8
[M+Na]+	215.04272	150.8
[M+NH4]+	210.08732	146.1
[M+K]+	231.01666	146.6
[M-H]-	191.04622	138.6
[M+Na-2H]-	213.02817	143.1
[M]+	192.05295	140.6
[M]-	192.05405	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe