CID 135489577

3,4-dihydro-6-hydroxy-4-oxoquinazoline

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC2=C(C=C1O)C(=O)NC=N2

InChI

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

InChIKey

QJRNXXLTDWMENM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 218
Patents: 162.04292 Da
Monoisotopic Mass: 0.4
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]+	163.050196	129.5
[M+Na]+	185.032138	140.1
[M-H]-	161.035644	129.5
[M+NH4]+	180.076743	147.6
[M+K]+	201.006078	135.9
[M+H-H2O]+	145.040180	123.0
[M+HCOO]-	207.041121	149.3
[M+CH3COO]-	221.056771	142.7
[M+Na-2H]-	183.017586	139.2
[M]+	162.04237142	128.1
[M]-	162.04346858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe