CID 136092390

5-hydroxy-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC2=C(C(=C1)O)C(=O)NC=N2

InChI

InChI=1S/C8H6N2O2/c11-6-3-1-2-5-7(6)8(12)10-4-9-5/h1-4,11H,(H,9,10,12)

InChIKey

FTOCEWPMEUCTJH-UHFFFAOYSA-N

Compound name

5-hydroxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 162.04292 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]+	163.05020	130.1
[M+Na]+	185.03214	144.6
[M+NH4]+	180.07674	138.0
[M+K]+	201.00608	138.6
[M-H]-	161.03564	130.8
[M+Na-2H]-	183.01759	137.0
[M]+	162.04237	132.2
[M]-	162.04347	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe