CID 3073530

2-(1-(2-oxo-1-pyrrolidinyl)ethyl)-1-phenyl-3-pyrazolidinone

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC(N1CCCC1=O)N2C(=O)CCN2C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O2/c1-12(16-10-5-8-14(16)19)18-15(20)9-11-17(18)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKey
FKIRQZJDNROIIM-UHFFFAOYSA-N
Compound name
2-[1-(2-oxopyrrolidin-1-yl)ethyl]-1-phenylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 165.2
[M+Na]+ 296.13696 175.3
[M+NH4]+ 291.18156 171.7
[M+K]+ 312.11090 173.6
[M-H]- 272.14046 167.4
[M+Na-2H]- 294.12241 170.0
[M]+ 273.14719 166.8
[M]- 273.14829 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.