CID 153744750

857759-75-2

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=O)N1

InChI

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

InChIKey

KYSDYCHHXOVJMP-UHFFFAOYSA-N

Compound name

2-methyl-4-oxo-3H-quinazoline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	140.5
[M+Na]+	227.04272	151.0
[M-H]-	203.04622	140.7
[M+NH4]+	222.08732	156.9
[M+K]+	243.01666	146.9
[M+H-H2O]+	187.05076	133.8
[M+HCOO]-	249.05170	159.0
[M+CH3COO]-	263.06735	181.2
[M+Na-2H]-	225.02817	147.3
[M]+	204.05295	140.4
[M]-	204.05405	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe