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

4578
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

literature stripe

Patent stripe

patents stripe