CID 3034167

Tecoram

Structural Information

Molecular Formula
C10H18N4S8
SMILES
CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C
InChI
InChI=1S/C10H18N4S8/c1-13(2)9(17)21-19-7(15)11-5-6-12-8(16)20-22-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16)
InChIKey
OTWBGXPTCSGQEJ-UHFFFAOYSA-N
Compound name
2-[(dimethylcarbamothioyldisulfanyl)carbothioylamino]ethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4649
Patents

449.92972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.93700 233.8
[M+Na]+ 472.91894 231.6
[M-H]- 448.92244 222.8
[M+NH4]+ 467.96354 235.0
[M+K]+ 488.89288 209.9
[M+H-H2O]+ 432.92698 221.3
[M+HCOO]- 494.92792 207.3
[M+CH3COO]- 508.94357 236.3
[M+Na-2H]- 470.90439 235.3
[M]+ 449.92917 210.1
[M]- 449.93027 210.1
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.