CID 3021857

91703-09-2

Structural Information

Molecular Formula

C₁₄H₁₈ClN₃O

SMILES

C1CC(=O)NC1N2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H18ClN3O/c15-11-1-3-12(4-2-11)17-7-9-18(10-8-17)13-5-6-14(19)16-13/h1-4,13H,5-10H2,(H,16,19)

InChIKey

RRFVAEJDATUHIC-UHFFFAOYSA-N

Compound name

5-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 279.11383 Da
Monoisotopic Mass: 2.0
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]+	280.121106	166.4
[M+Na]+	302.103048	172.3
[M-H]-	278.106554	169.5
[M+NH4]+	297.147653	179.6
[M+K]+	318.076988	165.9
[M+H-H2O]+	262.111090	156.4
[M+HCOO]-	324.112031	175.7
[M+CH3COO]-	338.127681	175.4
[M+Na-2H]-	300.088496	165.4
[M]+	279.11328142	159.9
[M]-	279.11437858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe