CID 217139

1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1CN(CCN1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O2/c19-14-10-12(15(20)17-8-6-16-7-9-17)11-18(14)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKey
PBMYDGKWBMRMIV-UHFFFAOYSA-N
Compound name
1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 165.5
[M+Na]+ 296.13696 169.3
[M-H]- 272.14046 168.7
[M+NH4]+ 291.18156 177.6
[M+K]+ 312.11090 164.8
[M+H-H2O]+ 256.14500 155.3
[M+HCOO]- 318.14594 178.7
[M+CH3COO]- 332.16159 174.1
[M+Na-2H]- 294.12241 164.4
[M]+ 273.14719 157.1
[M]- 273.14829 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

No patent data available for this compound.