CID 204410

3,5-pyrazolidinedione, 4-(2-(p-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=C(C=C4)Br
InChI
InChI=1S/C24H19BrN2O3/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
TUSROGVWBUGICT-UHFFFAOYSA-N
Compound name
4-[3-(4-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.

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No patent data available for this compound.