CID 216684

4-allyl-1,2-diphenyl-3,5-pyrazolidinedione

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C=CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c1-2-9-16-17(21)19(14-10-5-3-6-11-14)20(18(16)22)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2
InChIKey
FCNPWXFVAPWQQO-UHFFFAOYSA-N
Compound name
1,2-diphenyl-4-prop-2-enylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

292.1212 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 168.3
[M+Na]+ 315.110418 176.8
[M-H]- 291.113924 175.6
[M+NH4]+ 310.155023 182.6
[M+K]+ 331.084358 170.8
[M+H-H2O]+ 275.118460 158.7
[M+HCOO]- 337.119401 188.9
[M+CH3COO]- 351.135051 202.1
[M+Na-2H]- 313.095866 168.9
[M]+ 292.12065142 167.3
[M]- 292.12174858 167.3
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

patents stripe