CID 220188

5329-43-1

Structural Information

Molecular Formula

C₈H₆N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)O

InChI

InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)

InChIKey

TZZSQUATPYDROZ-UHFFFAOYSA-N

Compound name

3-hydroxy-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 59
Patents: 178.03784 Da
Monoisotopic Mass: 0.1
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]+	179.04512	132.9
[M+Na]+	201.02706	147.3
[M+NH4]+	196.07166	140.0
[M+K]+	217.00100	142.0
[M-H]-	177.03056	133.0
[M+Na-2H]-	199.01251	139.0
[M]+	178.03729	134.8
[M]-	178.03839	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe