CID 246265

3-butyl-2-hydroxyquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCCCN1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C12H14N2O2/c1-2-3-8-14-11(15)9-6-4-5-7-10(9)13-12(14)16/h4-7H,2-3,8H2,1H3,(H,13,16)

InChIKey

DSSUNKPFKROAGO-UHFFFAOYSA-N

Compound name

3-butyl-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 218.10553 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]+	219.112806	146.6
[M+Na]+	241.094748	157.0
[M-H]-	217.098254	147.6
[M+NH4]+	236.139353	163.3
[M+K]+	257.068688	152.2
[M+H-H2O]+	201.102790	139.2
[M+HCOO]-	263.103731	166.6
[M+CH3COO]-	277.119381	186.6
[M+Na-2H]-	239.080196	153.8
[M]+	218.10498142	148.1
[M]-	218.10607858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe