PubChemLite - 2,2'-dithiobis(n-dodecylbenzamide) (C38H60N2O2S2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCCCCCCCCCC

InChI

InChI=1S/C38H60N2O2S2/c1-3-5-7-9-11-13-15-17-19-25-31-39-37(41)33-27-21-23-29-35(33)43-44-36-30-24-22-28-34(36)38(42)40-32-26-20-18-16-14-12-10-8-6-4-2/h21-24,27-30H,3-20,25-26,31-32H2,1-2H3,(H,39,41)(H,40,42)

InChIKey

SVZNZXXPWCFHEP-UHFFFAOYSA-N

Compound name

N-dodecyl-2-[[2-(dodecylcarbamoyl)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]+	641.41688	258.8
[M+Na]+	663.39882	254.3
[M-H]-	639.40232	259.7
[M+NH4]+	658.44342	259.5
[M+K]+	679.37276	243.6
[M+H-H2O]+	623.40686	246.5
[M+HCOO]-	685.40780	264.9
[M+CH3COO]-	699.42345	273.0
[M+Na-2H]-	661.38427	250.3
[M]+	640.40905	267.8
[M]-	640.41015	267.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

641.41688

258.8

[M+Na]+

663.39882

254.3

[M-H]-

639.40232

259.7

[M+NH4]+

658.44342

259.5

[M+K]+

679.37276

243.6

[M+H-H2O]+

623.40686

246.5

[M+HCOO]-

685.40780

264.9

[M+CH3COO]-

699.42345

273.0

[M+Na-2H]-

661.38427

250.3

[M]+

640.40905

267.8

[M]-

640.41015

267.8

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-dodecylbenzamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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