CID 577253

3-amino-2-ethylquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N

InChI

InChI=1S/C10H11N3O/c1-2-9-12-8-6-4-3-5-7(8)10(14)13(9)11/h3-6H,2,11H2,1H3

InChIKey

VAXBRNDGRQUZHY-UHFFFAOYSA-N

Compound name

3-amino-2-ethylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 189.09021 Da
Monoisotopic Mass: 0.6
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]+	190.09749	138.9
[M+Na]+	212.07943	153.3
[M+NH4]+	207.12403	147.1
[M+K]+	228.05337	146.5
[M-H]-	188.08293	141.2
[M+Na-2H]-	210.06488	145.9
[M]+	189.08966	141.5
[M]-	189.09076	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe