CID 213502

3,5-pyrazolidinedione, 4-benzyl-1,2-diphenyl-

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

25
Patents

342.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.144116 182.3
[M+Na]+ 365.126058 189.8
[M-H]- 341.129564 192.4
[M+NH4]+ 360.170663 193.8
[M+K]+ 381.099998 182.9
[M+H-H2O]+ 325.134100 170.9
[M+HCOO]- 387.135041 202.4
[M+CH3COO]- 401.150691 192.6
[M+Na-2H]- 363.111506 182.8
[M]+ 342.13629142 180.5
[M]- 342.13738858 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