CID 135510669

5-methoxyquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

COC1=CC=CC2=C1C(=O)NC=N2

InChI

InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6/h2-5H,1H3,(H,10,11,12)

InChIKey

SJIQXQRHUFZWTH-UHFFFAOYSA-N

Compound name

5-methoxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 176.05858 Da
Monoisotopic Mass: 0.7
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]+	177.06586	134.1
[M+Na]+	199.04780	149.0
[M+NH4]+	194.09240	142.3
[M+K]+	215.02174	142.4
[M-H]-	175.05130	135.4
[M+Na-2H]-	197.03325	141.5
[M]+	176.05803	136.6
[M]-	176.05913	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe