CID 135446413

179688-52-9

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

COC1=C(C=C2C(=C1)N=CNC2=O)O

InChI

InChI=1S/C9H8N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-4,12H,1H3,(H,10,11,13)

InChIKey

OKZIRNNFVQCDSA-UHFFFAOYSA-N

Compound name

6-hydroxy-7-methoxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 306
Patents: 192.0535 Da
Monoisotopic Mass: 0.3
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]+	193.06078	137.9
[M+Na]+	215.04272	152.1
[M+NH4]+	210.08732	145.1
[M+K]+	231.01666	146.6
[M-H]-	191.04622	138.2
[M+Na-2H]-	213.02817	143.9
[M]+	192.05295	139.9
[M]-	192.05405	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe