CID 77327

3736-92-3

Structural Information

Molecular Formula
C23H20N2O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCSC4=CC=CC=C4
InChI
InChI=1S/C23H20N2O2S/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKey
PLGXGMUJUXKCDD-UHFFFAOYSA-N
Compound name
1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

24
Patents

388.12454 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13182 193.8
[M+Na]+ 411.11376 201.7
[M-H]- 387.11726 204.0
[M+NH4]+ 406.15836 204.4
[M+K]+ 427.08770 194.1
[M+H-H2O]+ 371.12180 183.4
[M+HCOO]- 433.12274 209.2
[M+CH3COO]- 447.13839 203.3
[M+Na-2H]- 409.09921 191.5
[M]+ 388.12399 194.9
[M]- 388.12509 194.9
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.