CID 457459

2,2'-dithiobis(n-dodecylbenzamide)

Structural Information

Molecular Formula
C38H60N2O2S2
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

compound 2d structure
1
Annotation Hits

2
References

6
Patents

640.4096 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.