CID 81640

7218-44-2

Structural Information

Molecular Formula
C24H20N2O9S4
SMILES
C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O9S4/c27-36(28,21-7-3-1-4-8-21)25-38(31,32)23-15-11-19(12-16-23)35-20-13-17-24(18-14-20)39(33,34)26-37(29,30)22-9-5-2-6-10-22/h1-18,25-26H
InChIKey
ZOLXCJSPJPWPLO-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-4-[4-(benzenesulfonylsulfamoyl)phenoxy]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

608.0052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.01248 221.8
[M+Na]+ 630.99442 229.7
[M+NH4]+ 626.03902 224.3
[M+K]+ 646.96836 220.9
[M-H]- 606.99792 224.8
[M+Na-2H]- 628.97987 231.6
[M]+ 608.00465 225.3
[M]- 608.00575 225.3
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