CID 28065182

1609403-76-0

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

CN1C=NC2=C(C1=O)C=CC(=C2)C(=O)O

InChI

InChI=1S/C10H8N2O3/c1-12-5-11-8-4-6(10(14)15)2-3-7(8)9(12)13/h2-5H,1H3,(H,14,15)

InChIKey

VXTJQVWLKUDPMD-UHFFFAOYSA-N

Compound name

3-methyl-4-oxoquinazoline-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 204.0535 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]+	205.06078	140.8
[M+Na]+	227.04272	155.1
[M+NH4]+	222.08732	147.8
[M+K]+	243.01666	149.8
[M-H]-	203.04622	141.2
[M+Na-2H]-	225.02817	146.7
[M]+	204.05295	142.8
[M]-	204.05405	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe