CID 64085

4(1h)-quinazolinone, 2,3-dihydro-3-(m-chlorophenyl)-1-(diethylaminoacetyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₂ClN₃O₂

SMILES

CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O2/c1-3-22(4-2)13-19(25)24-14-23(16-9-7-8-15(21)12-16)20(26)17-10-5-6-11-18(17)24/h5-12H,3-4,13-14H2,1-2H3

InChIKey

HWHRACMSQATXTN-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)-1-[2-(diethylamino)acetyl]-2H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.14005 Da
Monoisotopic Mass: 3.6
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]+	372.147326	188.4
[M+Na]+	394.129268	195.4
[M-H]-	370.132774	193.8
[M+NH4]+	389.173873	200.0
[M+K]+	410.103208	189.8
[M+H-H2O]+	354.137310	178.4
[M+HCOO]-	416.138251	201.5
[M+CH3COO]-	430.153901	222.8
[M+Na-2H]-	392.114716	189.8
[M]+	371.13950142	191.4
[M]-	371.14059858	191.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.