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

21
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

literature stripe

Patent stripe

patents stripe