CID 63385

4(3h)-quinazolinone, 3-ethyl-

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C10H10N2O/c1-2-12-7-11-9-6-4-3-5-8(9)10(12)13/h3-7H,2H2,1H3

InChIKey

BMFONNKQZRYQSO-UHFFFAOYSA-N

Compound name

3-ethylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 174.07932 Da
Monoisotopic Mass: 1.1
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]+	175.08660	134.3
[M+Na]+	197.06854	145.0
[M-H]-	173.07204	136.6
[M+NH4]+	192.11314	153.3
[M+K]+	213.04248	141.5
[M+H-H2O]+	157.07658	126.9
[M+HCOO]-	219.07752	156.2
[M+CH3COO]-	233.09317	180.7
[M+Na-2H]-	195.05399	143.9
[M]+	174.07877	135.8
[M]-	174.07987	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe