CID 484116

Chembl414617

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

COC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C15H14N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)

InChIKey

OJDXKYXBEYAMQI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 254.10553 Da
Monoisotopic Mass: 2.6
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]+	255.11281	157.9
[M+Na]+	277.09475	165.6
[M-H]-	253.09825	160.0
[M+NH4]+	272.13935	171.7
[M+K]+	293.06869	159.4
[M+H-H2O]+	237.10279	149.2
[M+HCOO]-	299.10373	173.7
[M+CH3COO]-	313.11938	168.2
[M+Na-2H]-	275.08020	163.6
[M]+	254.10498	153.9
[M]-	254.10608	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe