CID 213502

4-benzyl-1,2-diphenylpyrazolidine-3,5-dione

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C(C=C1)CC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c25-21-20(16-17-10-4-1-5-11-17)22(26)24(19-14-8-3-9-15-19)23(21)18-12-6-2-7-13-18/h1-15,20H,16H2
InChIKey
GSTJUQAYAGGXPJ-UHFFFAOYSA-N
Compound name
4-benzyl-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

342.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 183.6
[M+Na]+ 365.12606 200.1
[M+NH4]+ 360.17066 191.5
[M+K]+ 381.10000 192.4
[M-H]- 341.12956 190.9
[M+Na-2H]- 363.11151 194.7
[M]+ 342.13629 188.1
[M]- 342.13739 188.1
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

patents stripe