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

19
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 182.3
[M+Na]+ 365.12606 189.8
[M-H]- 341.12956 192.4
[M+NH4]+ 360.17066 193.8
[M+K]+ 381.10000 182.9
[M+H-H2O]+ 325.13410 170.9
[M+HCOO]- 387.13504 202.4
[M+CH3COO]- 401.15069 192.6
[M+Na-2H]- 363.11151 182.8
[M]+ 342.13629 180.5
[M]- 342.13739 180.5
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