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]+ 260.175736 162.9
[M+Na]+ 282.157678 167.2
[M-H]- 258.161184 167.1
[M+NH4]+ 277.202283 176.4
[M+K]+ 298.131618 163.0
[M+H-H2O]+ 242.165720 152.1
[M+HCOO]- 304.166661 178.2
[M+CH3COO]- 318.182311 172.3
[M+Na-2H]- 280.143126 163.2
[M]+ 259.16791142 156.2
[M]- 259.16900858 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.