CID 3000999

Nsc20867

Structural Information

Molecular Formula
C12H20N2O2S8
SMILES
CC(C)OC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC(C)C
InChI
InChI=1S/C12H20N2O2S8/c1-7(2)15-11(19)23-21-9(17)13-5-6-14-10(18)22-24-12(20)16-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18)
InChIKey
VJEKSHXRWHXOKP-UHFFFAOYSA-N
Compound name
O-propan-2-yl [2-[(propan-2-yloxycarbothioyldisulfanyl)carbothioylamino]ethylcarbamothioyldisulfanyl]methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.92905 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.93633 237.9
[M+Na]+ 502.91827 234.8
[M-H]- 478.92177 225.1
[M+NH4]+ 497.96287 237.8
[M+K]+ 518.89221 213.1
[M+H-H2O]+ 462.92631 226.6
[M+HCOO]- 524.92725 209.4
[M+CH3COO]- 538.94290 233.2
[M+Na-2H]- 500.90372 238.1
[M]+ 479.92850 215.3
[M]- 479.92960 215.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.