CID 213224

4-(3-oxo-3-phenylpropyl)-1-phenylpyrazolidine-3,5-dione

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1=CC=C(C=C1)C(=O)CCC2C(=O)NN(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3/c21-16(13-7-3-1-4-8-13)12-11-15-17(22)19-20(18(15)23)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,22)
InChIKey
DEPZOHWOPVSMGQ-UHFFFAOYSA-N
Compound name
4-(3-oxo-3-phenylpropyl)-1-phenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 173.1
[M+Na]+ 331.10532 185.7
[M+NH4]+ 326.14992 179.1
[M+K]+ 347.07926 180.9
[M-H]- 307.10882 176.1
[M+Na-2H]- 329.09077 179.9
[M]+ 308.11555 175.4
[M]- 308.11665 175.4
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.