CID 13337387

1-methyl-5-(4-phenyl-1-piperazinyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C15H21N3O
SMILES
CN1C(CCC1=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C15H21N3O/c1-16-14(7-8-15(16)19)18-11-9-17(10-12-18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKey
WREFBHXALDMRJV-UHFFFAOYSA-N
Compound name
1-methyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.16846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 163.3
[M+Na]+ 282.15768 168.6
[M-H]- 258.16118 168.0
[M+NH4]+ 277.20228 177.2
[M+K]+ 298.13162 164.3
[M+H-H2O]+ 242.16572 152.8
[M+HCOO]- 304.16666 178.6
[M+CH3COO]- 318.18231 173.1
[M+Na-2H]- 280.14313 162.8
[M]+ 259.16791 157.1
[M]- 259.16901 157.1
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