CID 64022

5632-37-1

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC(=O)CN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C11H10N2O2/c1-8(14)6-13-7-12-10-5-3-2-4-9(10)11(13)15/h2-5,7H,6H2,1H3

InChIKey

IVYYZSXTPJACKO-UHFFFAOYSA-N

Compound name

3-(2-oxopropyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 202.07423 Da
Monoisotopic Mass: 0.4
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]+	203.08151	141.6
[M+Na]+	225.06345	156.3
[M+NH4]+	220.10805	149.4
[M+K]+	241.03739	149.7
[M-H]-	201.06695	142.9
[M+Na-2H]-	223.04890	148.6
[M]+	202.07368	144.0
[M]-	202.07478	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe