PubChemLite - 3982-42-1 (C26H24N2O4S4)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SSC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H24N2O4S4/c1-19-11-15-21(16-12-19)35(29,30)27-23-7-3-5-9-25(23)33-34-26-10-6-4-8-24(26)28-36(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3

InChIKey

APANBHWEBXUZGY-UHFFFAOYSA-N

Compound name

4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]disulfanyl]phenyl]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]+	557.06918	228.7
[M+Na]+	579.05112	234.2
[M-H]-	555.05462	236.0
[M+NH4]+	574.09572	231.8
[M+K]+	595.02506	221.5
[M+H-H2O]+	539.05916	218.8
[M+HCOO]-	601.06010	230.4
[M+CH3COO]-	615.07575	245.2
[M+Na-2H]-	577.03657	235.0
[M]+	556.06135	227.7
[M]-	556.06245	227.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.06918

228.7

[M+Na]+

579.05112

234.2

[M-H]-

555.05462

236.0

[M+NH4]+

574.09572

231.8

[M+K]+

595.02506

221.5

[M+H-H2O]+

539.05916

218.8

[M+HCOO]-

601.06010

230.4

[M+CH3COO]-

615.07575

245.2

[M+Na-2H]-

577.03657

235.0

[M]+

556.06135

227.7

[M]-

556.06245

227.7

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

3982-42-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe