CID 3032290

N,n'-didodecyldithiooxamide

Structural Information

Molecular Formula
C26H52N2S2
SMILES
CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC
InChI
InChI=1S/C26H52N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(29)26(30)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
MQCQUDOKUAAVFO-UHFFFAOYSA-N
Compound name
N,N'-didodecylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

456.35718 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.36446 216.4
[M+Na]+ 479.34640 213.3
[M-H]- 455.34990 212.2
[M+NH4]+ 474.39100 225.2
[M+K]+ 495.32034 204.7
[M+H-H2O]+ 439.35444 206.8
[M+HCOO]- 501.35538 222.3
[M+CH3COO]- 515.37103 241.6
[M+Na-2H]- 477.33185 207.7
[M]+ 456.35663 222.8
[M]- 456.35773 222.8
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.