CID 63207

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

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

CC(=O)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C10H8N2O2/c1-7(13)12-6-11-9-5-3-2-4-8(9)10(12)14/h2-6H,1H3

InChIKey

BTCMOZWLSOWSGP-UHFFFAOYSA-N

Compound name

3-acetylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 188.05858 Da
Monoisotopic Mass: 0.5
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]+	189.065856	136.4
[M+Na]+	211.047798	147.0
[M-H]-	187.051304	138.9
[M+NH4]+	206.092403	154.7
[M+K]+	227.021738	144.1
[M+H-H2O]+	171.055840	129.0
[M+HCOO]-	233.056781	157.7
[M+CH3COO]-	247.072431	182.1
[M+Na-2H]-	209.033246	144.8
[M]+	188.05803142	138.0
[M]-	188.05912858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe