CID 204460

Brn 0788662

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

COC(=O)N1C=NC2=CC=CC=C2C1=O

InChI

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

InChIKey

ZZTBRZALYNBHON-UHFFFAOYSA-N

Compound name

methyl 4-oxoquinazoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.0535 Da
Monoisotopic Mass: 0.9
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	140.6
[M+Na]+	227.04272	155.0
[M+NH4]+	222.08732	147.9
[M+K]+	243.01666	149.2
[M-H]-	203.04622	141.4
[M+Na-2H]-	225.02817	147.3
[M]+	204.05295	142.7
[M]-	204.05405	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe