CID 3021274

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

Structural Information

Molecular Formula
C15H21N3O
SMILES
C1CC(=O)N(C1)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C15H21N3O/c19-15-7-4-8-18(15)13-16-9-11-17(12-10-16)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKey
ZRFLTMSSHZEOGF-UHFFFAOYSA-N
Compound name
1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 162.9
[M+Na]+ 282.15768 167.2
[M-H]- 258.16118 167.1
[M+NH4]+ 277.20228 176.4
[M+K]+ 298.13162 163.0
[M+H-H2O]+ 242.16572 152.1
[M+HCOO]- 304.16666 178.2
[M+CH3COO]- 318.18231 172.3
[M+Na-2H]- 280.14313 163.2
[M]+ 259.16791 156.2
[M]- 259.16901 156.2
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.