CID 3032507

Oxamide, n,n'-dioctadecyldithio-

Structural Information

Molecular Formula
C38H76N2S2
SMILES
CCCCCCCCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H76N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37(41)38(42)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)
InChIKey
HAEZRGWJGIOSQY-UHFFFAOYSA-N
Compound name
N,N'-dioctadecylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

624.545 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.552276 295.4
[M+Na]+ 647.534218 299.8
[M-H]- 623.537724 273.6
[M+NH4]+ 642.578823 289.9
[M+K]+ 663.508158 302.4
[M+H-H2O]+ 607.542260 248.6
[M+HCOO]- 669.543201 292.6
[M+CH3COO]- 683.558851 274.9
[M+Na-2H]- 645.519666 274.4
[M]+ 624.54445142 292.7
[M]- 624.54554858 292.7
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

patents stripe