CID 81641

7218-46-4

Structural Information

Molecular Formula
C24H20N2O8S4
SMILES
C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O8S4/c27-35(28,21-7-3-1-4-8-21)25-37(31,32)23-15-11-19(12-16-23)20-13-17-24(18-14-20)38(33,34)26-36(29,30)22-9-5-2-6-10-22/h1-18,25-26H
InChIKey
IISDMBNJXWPOIZ-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-4-[4-(benzenesulfonylsulfamoyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

592.01025 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.01753 240.5
[M+Na]+ 614.99947 243.9
[M-H]- 591.00297 246.9
[M+NH4]+ 610.04407 240.6
[M+K]+ 630.97341 233.8
[M+H-H2O]+ 575.00751 230.4
[M+HCOO]- 637.00845 241.6
[M+CH3COO]- 651.02410 244.4
[M+Na-2H]- 612.98492 253.6
[M]+ 592.00970 238.9
[M]- 592.01080 238.9
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

patents stripe