CID 70676

Sulfinpyrazone sulfone

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H20N2O4S/c26-22-21(16-17-30(28,29)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
DQUYGWDNTAETLI-UHFFFAOYSA-N
Compound name
4-[2-(benzenesulfonyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.11438 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 198.3
[M+Na]+ 443.10360 212.6
[M+NH4]+ 438.14820 204.3
[M+K]+ 459.07754 205.0
[M-H]- 419.10710 203.7
[M+Na-2H]- 441.08905 207.7
[M]+ 420.11383 202.3
[M]- 420.11493 202.3
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

No patent data available for this compound.