CID 204405

3,5-pyrazolidinedione, 4-(2-(m-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(=CC=C4)F
InChI
InChI=1S/C24H19FN2O3/c25-18-9-7-8-17(16-18)22(28)15-14-21-23(29)26(19-10-3-1-4-11-19)27(24(21)30)20-12-5-2-6-13-20/h1-13,16,21H,14-15H2
InChIKey
QZQGRGYWYGZBDV-UHFFFAOYSA-N
Compound name
4-[3-(3-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 196.3
[M+Na]+ 425.12719 203.5
[M-H]- 401.13069 205.2
[M+NH4]+ 420.17179 205.2
[M+K]+ 441.10113 196.4
[M+H-H2O]+ 385.13523 183.8
[M+HCOO]- 447.13617 213.9
[M+CH3COO]- 461.15182 205.2
[M+Na-2H]- 423.11264 193.4
[M]+ 402.13742 194.7
[M]- 402.13852 194.7
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.