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

0
References

27
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

literature stripe

Patent stripe

patents stripe