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: 3
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]+	219.11281	147.3
[M+Na]+	241.09475	161.9
[M+NH4]+	236.13935	154.6
[M+K]+	257.06869	154.7
[M-H]-	217.09825	148.2
[M+Na-2H]-	239.08020	153.4
[M]+	218.10498	149.5
[M]-	218.10608	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe