CID 63398

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

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CCCCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H14N2O/c1-2-3-8-14-9-13-11-7-5-4-6-10(11)12(14)15/h4-7,9H,2-3,8H2,1H3

InChIKey

ZZSCVVWJRCJHPA-UHFFFAOYSA-N

Compound name

3-butylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 202.11061 Da
Monoisotopic Mass: 1.9
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]+	203.11789	144.0
[M+Na]+	225.09983	159.3
[M+NH4]+	220.14443	152.6
[M+K]+	241.07377	151.1
[M-H]-	201.10333	146.1
[M+Na-2H]-	223.08528	151.6
[M]+	202.11006	146.8
[M]-	202.11116	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe