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 164.5
[M+Na]+ 296.13696 170.4
[M-H]- 272.14046 170.1
[M+NH4]+ 291.18156 179.6
[M+K]+ 312.11090 167.1
[M+H-H2O]+ 256.14500 155.1
[M+HCOO]- 318.14594 181.5
[M+CH3COO]- 332.16159 197.3
[M+Na-2H]- 294.12241 161.4
[M]+ 273.14719 160.8
[M]- 273.14829 160.8
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.