CID 199051

3,5-pyrazolidinedione, 4-(2-(p-chlorobenzoyl)ethyl)-1,2-diphenyl-

Structural Information

Molecular Formula
C24H19ClN2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O3/c25-18-13-11-17(12-14-18)22(28)16-15-21-23(29)26(19-7-3-1-4-8-19)27(24(21)30)20-9-5-2-6-10-20/h1-14,21H,15-16H2
InChIKey
AZNXLTZGEVCWAA-UHFFFAOYSA-N
Compound name
4-[3-(4-chlorophenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.10843 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.11571 199.8
[M+Na]+ 441.09765 216.2
[M+NH4]+ 436.14225 206.6
[M+K]+ 457.07159 208.7
[M-H]- 417.10115 206.3
[M+Na-2H]- 439.08310 209.4
[M]+ 418.10788 204.3
[M]- 418.10898 204.3
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

No patent data available for this compound.