CID 3021854

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

Structural Information

Molecular Formula
C14H19N3O
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C14H19N3O/c18-14-7-6-13(15-14)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,15,18)
InChIKey
JAYSDEBWXVXRSO-UHFFFAOYSA-N
Compound name
5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.15282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 158.9
[M+Na]+ 268.14204 163.3
[M-H]- 244.14554 162.1
[M+NH4]+ 263.18664 172.4
[M+K]+ 284.11598 158.4
[M+H-H2O]+ 228.15008 148.7
[M+HCOO]- 290.15102 173.1
[M+CH3COO]- 304.16667 168.2
[M+Na-2H]- 266.12749 159.3
[M]+ 245.15227 150.2
[M]- 245.15337 150.2
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

patents stripe