CID 204406

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

Structural Information

Molecular Formula
C24H19FN2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H19FN2O3/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
QJGPARVLUHMPDT-UHFFFAOYSA-N
Compound name
4-[3-(4-fluorophenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.13797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14525 199.5
[M+Na]+ 425.12719 213.8
[M+NH4]+ 420.17179 205.1
[M+K]+ 441.10113 207.3
[M-H]- 401.13069 204.2
[M+Na-2H]- 423.11264 207.9
[M]+ 402.13742 202.8
[M]- 402.13852 202.8
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.