CID 63818

4(3h)-quinazolinone, 3-(4-(p-chlorophenyl)-1-piperazinylmethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₁₉H₁₉ClN₄O

SMILES

C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN4O/c20-15-5-7-16(8-6-15)23-11-9-22(10-12-23)14-24-13-21-18-4-2-1-3-17(18)19(24)25/h1-8,13H,9-12,14H2

InChIKey

VNLBYISONLFBKN-UHFFFAOYSA-N

Compound name

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.12473 Da
Monoisotopic Mass: 3.2
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]+	355.132006	185.3
[M+Na]+	377.113948	193.6
[M-H]-	353.117454	189.2
[M+NH4]+	372.158553	193.7
[M+K]+	393.087888	185.2
[M+H-H2O]+	337.121990	172.2
[M+HCOO]-	399.122931	194.3
[M+CH3COO]-	413.138581	193.4
[M+Na-2H]-	375.099396	189.2
[M]+	354.12418142	183.7
[M]-	354.12527858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.