CID 484121

Chembl137859

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₃

SMILES

COC1=CC(=C(C=C1)OC)C2NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H16N2O3/c1-20-10-7-8-14(21-2)12(9-10)15-17-13-6-4-3-5-11(13)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)

InChIKey

YPOYKSUHSTWRFF-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 284.1161 Da
Monoisotopic Mass: 2.5
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]+	285.12338	165.8
[M+Na]+	307.10532	173.7
[M-H]-	283.10882	168.1
[M+NH4]+	302.14992	178.5
[M+K]+	323.07926	168.1
[M+H-H2O]+	267.11336	156.8
[M+HCOO]-	329.11430	181.4
[M+CH3COO]-	343.12995	175.8
[M+Na-2H]-	305.09077	170.3
[M]+	284.11555	163.9
[M]-	284.11665	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe