PubChemLite - N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)sulfamoyl]phenyl]disulfanyl]benzenesulfonamide (C24H22N4O8S6)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)SSC2=CC=CC=C2S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C24H22N4O8S6/c25-39(29,30)19-13-9-17(10-14-19)27-41(33,34)23-7-3-1-5-21(23)37-38-22-6-2-4-8-24(22)42(35,36)28-18-11-15-20(16-12-18)40(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32)

InChIKey

YEHFBPIIPRNFIU-UHFFFAOYSA-N

Compound name

N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)sulfamoyl]phenyl]disulfanyl]benzenesulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	686.98348	264.3
[M+Na]+	708.96542	264.0
[M-H]-	684.96892	262.5
[M+NH4]+	704.01002	258.4
[M+K]+	724.93936	247.0
[M+H-H2O]+	668.97346	253.5
[M+HCOO]-	730.97440	254.6
[M+CH3COO]-	744.99005	260.5
[M+Na-2H]-	706.95087	281.1
[M]+	685.97565	251.9
[M]-	685.97675	251.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

686.98348

264.3

[M+Na]+

708.96542

264.0

[M-H]-

684.96892

262.5

[M+NH4]+

704.01002

258.4

[M+K]+

724.93936

247.0

[M+H-H2O]+

668.97346

253.5

[M+HCOO]-

730.97440

254.6

[M+CH3COO]-

744.99005

260.5

[M+Na-2H]-

706.95087

281.1

[M]+

685.97565

251.9

[M]-

685.97675

251.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)sulfamoyl]phenyl]disulfanyl]benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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