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 302.1
[M+Na]+ 675.56552 306.1
[M-H]- 651.56902 279.5
[M+NH4]+ 670.61012 296.5
[M+K]+ 691.53946 309.5
[M+H-H2O]+ 635.57356 297.8
[M+HCOO]- 697.57450 298.6
[M+CH3COO]- 711.59015 280.2
[M+Na-2H]- 673.55097 280.2
[M]+ 652.57575 299.2
[M]- 652.57685 299.2
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.