CID 3021858

5-(4-(3-chlorophenyl)piperazin-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C14H18ClN3O
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H18ClN3O/c15-11-2-1-3-12(10-11)17-6-8-18(9-7-17)13-4-5-14(19)16-13/h1-3,10,13H,4-9H2,(H,16,19)
InChIKey
IBZMKQORYPUUHW-UHFFFAOYSA-N
Compound name
5-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.11383 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12111 166.4
[M+Na]+ 302.10305 172.3
[M-H]- 278.10655 169.5
[M+NH4]+ 297.14765 179.6
[M+K]+ 318.07699 165.9
[M+H-H2O]+ 262.11109 156.4
[M+HCOO]- 324.11203 175.7
[M+CH3COO]- 338.12768 175.4
[M+Na-2H]- 300.08850 165.4
[M]+ 279.11328 159.9
[M]- 279.11438 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe