CID 63413

4(1h)-quinazolinone, 2,3-dihydro-3-(p-methoxyphenyl)-1-(piperidinoacetyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₅N₃O₃

SMILES

COC1=CC=C(C=C1)N2CN(C3=CC=CC=C3C2=O)C(=O)CN4CCCCC4

InChI

InChI=1S/C22H25N3O3/c1-28-18-11-9-17(10-12-18)24-16-25(20-8-4-3-7-19(20)22(24)27)21(26)15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3

InChIKey

KHNGLPHWGFDJLF-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.1896 Da
Monoisotopic Mass: 3.1
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]+	380.196876	194.0
[M+Na]+	402.178818	197.9
[M-H]-	378.182324	198.6
[M+NH4]+	397.223423	201.3
[M+K]+	418.152758	192.3
[M+H-H2O]+	362.186860	181.1
[M+HCOO]-	424.187801	204.9
[M+CH3COO]-	438.203451	200.7
[M+Na-2H]-	400.164266	194.0
[M]+	379.18905142	189.4
[M]-	379.19014858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.