CID 968929

30386-01-7

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

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

InChI

InChI=1S/C8H7N3O2/c9-11-7(12)5-3-1-2-4-6(5)10-8(11)13/h1-4H,9H2,(H,10,13)

InChIKey

NMGODFWGUBLTTA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 81
Patents: 177.05383 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]+	178.06111	133.0
[M+Na]+	200.04305	146.8
[M+NH4]+	195.08765	140.3
[M+K]+	216.01699	141.3
[M-H]-	176.04655	134.1
[M+Na-2H]-	198.02850	139.3
[M]+	177.05328	135.0
[M]-	177.05438	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe