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 169.9
[M+Na]+ 315.11042 184.4
[M+NH4]+ 310.15502 177.1
[M+K]+ 331.08436 178.1
[M-H]- 291.11392 174.2
[M+Na-2H]- 313.09587 178.0
[M]+ 292.12065 173.1
[M]- 292.12175 173.1
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