CID 92956

1,4-diphenylpyrazolidine-3,5-dione

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C(C=C1)C2C(=O)NN(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h1-10,13H,(H,16,18)
InChIKey
ZZMSHBOVYPIYOB-UHFFFAOYSA-N
Compound name
1,4-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1347
Patents

252.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 158.0
[M+Na]+ 275.07909 172.1
[M+NH4]+ 270.12369 165.5
[M+K]+ 291.05303 166.7
[M-H]- 251.08259 162.1
[M+Na-2H]- 273.06454 166.5
[M]+ 252.08932 161.0
[M]- 252.09042 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe