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
1
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]+ 293.12848 168.3
[M+Na]+ 315.11042 176.8
[M-H]- 291.11392 175.6
[M+NH4]+ 310.15502 182.6
[M+K]+ 331.08436 170.8
[M+H-H2O]+ 275.11846 158.7
[M+HCOO]- 337.11940 188.9
[M+CH3COO]- 351.13505 202.1
[M+Na-2H]- 313.09587 168.9
[M]+ 292.12065 167.3
[M]- 292.12175 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