CID 135471413

Chembl138976

Structural Information

Molecular Formula

C₁₇H₁₇N₃O₂

SMILES

CN(C)C1=CC2=C(C=C1)N=C(NC2=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H17N3O2/c1-20(2)12-7-8-15-14(10-12)17(21)19-16(18-15)11-5-4-6-13(9-11)22-3/h4-10H,1-3H3,(H,18,19,21)

InChIKey

JVPOQXCXDXWEBD-UHFFFAOYSA-N

Compound name

6-(dimethylamino)-2-(3-methoxyphenyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 295.13208 Da
Monoisotopic Mass: 2.4
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]+	296.13936	168.7
[M+Na]+	318.12130	177.9
[M-H]-	294.12480	174.2
[M+NH4]+	313.16590	182.1
[M+K]+	334.09524	173.2
[M+H-H2O]+	278.12934	158.9
[M+HCOO]-	340.13028	189.5
[M+CH3COO]-	354.14593	208.0
[M+Na-2H]-	316.10675	174.7
[M]+	295.13153	170.8
[M]-	295.13263	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe