CID 3033250

Usaf mk-54

Structural Information

Molecular Formula
C10H16N2O4S2
SMILES
CC(=O)OCCNC(=S)C(=S)NCCOC(=O)C
InChI
InChI=1S/C10H16N2O4S2/c1-7(13)15-5-3-11-9(17)10(18)12-4-6-16-8(2)14/h3-6H2,1-2H3,(H,11,17)(H,12,18)
InChIKey
WUJDOGRFEFLLKC-UHFFFAOYSA-N
Compound name
2-[[2-(2-acetyloxyethylamino)-2-sulfanylideneethanethioyl]amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.05515 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06243 167.0
[M+Na]+ 315.04437 170.4
[M+NH4]+ 310.08897 171.1
[M+K]+ 331.01831 164.7
[M-H]- 291.04787 164.1
[M+Na-2H]- 313.02982 165.4
[M]+ 292.05460 166.8
[M]- 292.05570 166.8
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.