CID 3033255

Usaf mk-84

Structural Information

Molecular Formula
C20H32N2O6S2
SMILES
C(CC(=O)CCC(=O)CCO)CNC(=S)C(=S)NCCCC(=O)CCC(=O)CCO
InChI
InChI=1S/C20H32N2O6S2/c23-13-9-17(27)7-5-15(25)3-1-11-21-19(29)20(30)22-12-2-4-16(26)6-8-18(28)10-14-24/h23-24H,1-14H2,(H,21,29)(H,22,30)
InChIKey
VOLQLFAICKNXML-UHFFFAOYSA-N
Compound name
N,N'-bis(9-hydroxy-4,7-dioxononyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.17017 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.17745 207.6
[M+Na]+ 483.15939 243.9
[M+NH4]+ 478.20399 236.4
[M+K]+ 499.13333 235.3
[M-H]- 459.16289 232.6
[M+Na-2H]- 481.14484 201.8
[M]+ 460.16962 233.8
[M]- 460.17072 233.8
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.