CID 3033258

63867-42-5

Structural Information

Molecular Formula
C36H72N2S2
SMILES
CCCCCCCCC(CCCCCC)CCNC(=S)C(=S)NCCC(CCCCCC)CCCCCCCC
InChI
InChI=1S/C36H72N2S2/c1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)29-31-37-35(39)36(40)38-32-30-34(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h33-34H,5-32H2,1-4H3,(H,37,39)(H,38,40)
InChIKey
UOECFOJNXHENFL-UHFFFAOYSA-N
Compound name
N,N'-bis(3-hexylundecyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.5137 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.52098 286.2
[M+Na]+ 619.50292 291.9
[M-H]- 595.50642 268.2
[M+NH4]+ 614.54752 283.9
[M+K]+ 635.47686 294.8
[M+H-H2O]+ 579.51096 245.4
[M+HCOO]- 641.51190 279.7
[M+CH3COO]- 655.52755 270.7
[M+Na-2H]- 617.48837 241.8
[M]+ 596.51315 283.8
[M]- 596.51425 283.8
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.