CID 212117

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

Structural Information

Molecular Formula
C25H22N2O3
SMILES
CC1=CC=C(C=C1)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H22N2O3/c1-18-12-14-19(15-13-18)23(28)17-16-22-24(29)26(20-8-4-2-5-9-20)27(25(22)30)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKey
GHBKJVORDNLSMT-UHFFFAOYSA-N
Compound name
4-[3-(4-methylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.16306 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17034 198.1
[M+Na]+ 421.15228 213.4
[M+NH4]+ 416.19688 204.4
[M+K]+ 437.12622 206.7
[M-H]- 397.15578 204.4
[M+Na-2H]- 419.13773 207.4
[M]+ 398.16251 202.0
[M]- 398.16361 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.