CID 53711

3-(4-(m-chlorophenyl)-1-piperazinyl)dihydro-2(3h)-furanone hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₇ClN₂O₂

SMILES

C1COC(=O)C1N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H17ClN2O2/c15-11-2-1-3-12(10-11)16-5-7-17(8-6-16)13-4-9-19-14(13)18/h1-3,10,13H,4-9H2

InChIKey

JSZJHSJEYIUPSA-UHFFFAOYSA-N

Compound name

3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.09787 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]+	281.105146	164.9
[M+Na]+	303.087088	171.3
[M-H]-	279.090594	171.5
[M+NH4]+	298.131693	178.8
[M+K]+	319.061028	167.4
[M+H-H2O]+	263.095130	155.8
[M+HCOO]-	325.096071	176.3
[M+CH3COO]-	339.111721	175.3
[M+Na-2H]-	301.072536	165.1
[M]+	280.09732142	161.8
[M]-	280.09841858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.