PubChemLite - 2,2'-dithiobis[n-[4-(methylsulfonyl)phenyl]benzamide] (C28H24N2O6S4)

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H24N2O6S4/c1-39(33,34)21-15-11-19(12-16-21)29-27(31)23-7-3-5-9-25(23)37-38-26-10-6-4-8-24(26)28(32)30-20-13-17-22(18-14-20)40(2,35)36/h3-18H,1-2H3,(H,29,31)(H,30,32)

InChIKey

XXJLIQQYTZWDPJ-UHFFFAOYSA-N

Compound name

N-(4-methylsulfonylphenyl)-2-[[2-[(4-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide

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]+	613.05898	241.2
[M+Na]+	635.04092	244.0
[M-H]-	611.04442	247.8
[M+NH4]+	630.08552	241.3
[M+K]+	651.01486	232.9
[M+H-H2O]+	595.04896	231.1
[M+HCOO]-	657.04990	240.7
[M+CH3COO]-	671.06555	253.4
[M+Na-2H]-	633.02637	247.3
[M]+	612.05115	240.8
[M]-	612.05225	240.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.05898

241.2

[M+Na]+

635.04092

244.0

[M-H]-

611.04442

247.8

[M+NH4]+

630.08552

241.3

[M+K]+

651.01486

232.9

[M+H-H2O]+

595.04896

231.1

[M+HCOO]-

657.04990

240.7

[M+CH3COO]-

671.06555

253.4

[M+Na-2H]-

633.02637

247.3

[M]+

612.05115

240.8

[M]-

612.05225

240.8

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

2,2'-dithiobis[n-[4-(methylsulfonyl)phenyl]benzamide]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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