CID 135398517

90417-38-2

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

CC1=NC2=C(C=CC=C2O)C(=O)N1

InChI

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

InChIKey

YJDAOHJWLUNFLX-UHFFFAOYSA-N

Compound name

8-hydroxy-2-methyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 41
References: 496
Patents: 176.05858 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]+	177.06586	134.6
[M+Na]+	199.04780	149.3
[M+NH4]+	194.09240	142.4
[M+K]+	215.02174	143.3
[M-H]-	175.05130	135.4
[M+Na-2H]-	197.03325	141.1
[M]+	176.05803	136.9
[M]-	176.05913	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe