CID 3021276

2-pyrrolidinone, 1-((4-(phenylmethyl)-1-piperazinyl)methyl)-

Structural Information

Molecular Formula
C16H23N3O
SMILES
C1CC(=O)N(C1)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C16H23N3O/c20-16-7-4-8-19(16)14-18-11-9-17(10-12-18)13-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2
InChIKey
RTVOZGHFWJJZTQ-UHFFFAOYSA-N
Compound name
1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 167.3
[M+Na]+ 296.17332 171.1
[M-H]- 272.17682 171.3
[M+NH4]+ 291.21792 180.2
[M+K]+ 312.14726 166.6
[M+H-H2O]+ 256.18136 156.2
[M+HCOO]- 318.18230 182.2
[M+CH3COO]- 332.19795 176.2
[M+Na-2H]- 294.15877 167.0
[M]+ 273.18355 160.9
[M]- 273.18465 160.9
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

No patent data available for this compound.