CID 317906

51310-21-5

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₃

SMILES

COC(=O)C1=CC=CC=C1N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12N2O3/c1-21-16(20)12-7-3-5-9-14(12)18-10-17-13-8-4-2-6-11(13)15(18)19/h2-10H,1H3

InChIKey

VMPFRXIRCPTOKJ-UHFFFAOYSA-N

Compound name

methyl 2-(4-oxoquinazolin-3-yl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 280.08478 Da
Monoisotopic Mass: 2.3
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]+	281.09206	161.9
[M+Na]+	303.07400	178.4
[M+NH4]+	298.11860	169.4
[M+K]+	319.04794	170.9
[M-H]-	279.07750	165.5
[M+Na-2H]-	301.05945	171.0
[M]+	280.08423	165.3
[M]-	280.08533	165.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.