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 203.3
[M+Na]+ 485.04714 212.6
[M-H]- 461.05064 215.5
[M+NH4]+ 480.09174 214.0
[M+K]+ 501.02108 199.6
[M+H-H2O]+ 445.05518 199.4
[M+HCOO]- 507.05612 219.7
[M+CH3COO]- 521.07177 213.8
[M+Na-2H]- 483.03259 202.1
[M]+ 462.05737 221.3
[M]- 462.05847 221.3
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.