CID 3033259

Usaf mk-51

Structural Information

Molecular Formula
C40H80N2S2
SMILES
CCCCCCCCCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-39(43)40(44)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3,(H,41,43)(H,42,44)
InChIKey
HZDFFDNCUFJBKN-UHFFFAOYSA-N
Compound name
N,N'-di(nonadecyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.5763 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.58358 297.2
[M+Na]+ 675.56552 308.0
[M+NH4]+ 670.61012 297.0
[M+K]+ 691.53946 300.6
[M-H]- 651.56902 281.7
[M+Na-2H]- 673.55097 294.5
[M]+ 652.57575 294.9
[M]- 652.57685 294.9
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.