CID 3021862

5-(4-benzylpiperazin-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C15H21N3O
SMILES
C1CC(=O)NC1N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H21N3O/c19-15-7-6-14(16-15)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,16,19)
InChIKey
WHFMOAWGEHXTJG-UHFFFAOYSA-N
Compound name
5-(4-benzylpiperazin-1-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.16846 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 163.3
[M+Na]+ 282.15768 167.1
[M-H]- 258.16118 166.2
[M+NH4]+ 277.20228 176.1
[M+K]+ 298.13162 162.0
[M+H-H2O]+ 242.16572 152.8
[M+HCOO]- 304.16666 177.0
[M+CH3COO]- 318.18231 172.0
[M+Na-2H]- 280.14313 163.1
[M]+ 259.16791 154.8
[M]- 259.16901 154.8
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