CID 135484664

Chembl137821

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

COC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2)OC

InChI

InChI=1S/C16H14N2O3/c1-20-11-7-10(8-12(9-11)21-2)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)

InChIKey

GGOWAPMNHOQUBZ-UHFFFAOYSA-N

Compound name

2-(3,5-dimethoxyphenyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 282.10043 Da
Monoisotopic Mass: 2.3
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]+	283.10771	163.7
[M+Na]+	305.08965	174.1
[M-H]-	281.09315	168.1
[M+NH4]+	300.13425	177.4
[M+K]+	321.06359	168.9
[M+H-H2O]+	265.09769	154.4
[M+HCOO]-	327.09863	183.6
[M+CH3COO]-	341.11428	175.5
[M+Na-2H]-	303.07510	170.5
[M]+	282.09988	166.4
[M]-	282.10098	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe