CID 3021862

91703-14-9

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

7
Patents

259.16846 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 163.3
[M+Na]+ 282.157678 167.1
[M-H]- 258.161184 166.2
[M+NH4]+ 277.202283 176.1
[M+K]+ 298.131618 162.0
[M+H-H2O]+ 242.165720 152.8
[M+HCOO]- 304.166661 177.0
[M+CH3COO]- 318.182311 172.0
[M+Na-2H]- 280.143126 163.1
[M]+ 259.16791142 154.8
[M]- 259.16900858 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