CID 17368

Tetrapropylthiuram disulphide

Structural Information

Molecular Formula
C14H28N2S4
SMILES
CCCN(CCC)C(=S)SSC(=S)N(CCC)CCC
InChI
InChI=1S/C14H28N2S4/c1-5-9-15(10-6-2)13(17)19-20-14(18)16(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKey
ICEXLMACENYGPP-UHFFFAOYSA-N
Compound name
dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

412
Patents

352.11353 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12081 179.9
[M+Na]+ 375.10275 181.1
[M-H]- 351.10625 178.5
[M+NH4]+ 370.14735 192.6
[M+K]+ 391.07669 173.1
[M+H-H2O]+ 335.11079 170.9
[M+HCOO]- 397.11173 176.8
[M+CH3COO]- 411.12738 221.8
[M+Na-2H]- 373.08820 174.8
[M]+ 352.11298 180.7
[M]- 352.11408 180.7
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