CID 44878

Bis-didodecyldithiooxamide

Structural Information

Molecular Formula
C50H100N2S2
SMILES
CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)C(=S)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI
InChI=1S/C50H100N2S2/c1-5-9-13-17-21-25-29-33-37-41-45-51(46-42-38-34-30-26-22-18-14-10-6-2)49(53)50(54)52(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-48H2,1-4H3
InChIKey
CMUSAIAPZJEUMJ-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetradodecylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

792.7328 Da
Monoisotopic Mass

23.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.74008 335.0
[M+Na]+ 815.72202 340.4
[M-H]- 791.72552 312.8
[M+NH4]+ 810.76662 336.9
[M+K]+ 831.69596 348.7
[M+H-H2O]+ 775.73006 333.2
[M+HCOO]- 837.73100 326.8
[M+CH3COO]- 851.74665 312.0
[M+Na-2H]- 813.70747 311.9
[M]+ 792.73225 334.5
[M]- 792.73335 334.5
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