CID 204409

3,5-pyrazolidinedione, 4-(2-(m-bromobenzoyl)ethyl)-1,2-diphenyl-

Structural Information

Molecular Formula
C24H19BrN2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C24H19BrN2O3/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
UDQTZEBCLAIJSA-UHFFFAOYSA-N
Compound name
4-[3-(3-bromophenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.05792 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.06520 202.9
[M+Na]+ 485.04714 208.2
[M+NH4]+ 480.09174 205.8
[M+K]+ 501.02108 207.5
[M-H]- 461.05064 207.0
[M+Na-2H]- 483.03259 208.0
[M]+ 462.05737 203.7
[M]- 462.05847 203.7
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.