CID 15412

Tetrabutylthiuram disulfide

Structural Information

Molecular Formula
C18H36N2S4
SMILES
CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC
InChI
InChI=1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKey
PGAXJQVAHDTGBB-UHFFFAOYSA-N
Compound name
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

11897
Patents

408.17615 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18343 194.1
[M+Na]+ 431.16537 193.8
[M-H]- 407.16887 191.9
[M+NH4]+ 426.20997 204.8
[M+K]+ 447.13931 184.9
[M+H-H2O]+ 391.17341 184.5
[M+HCOO]- 453.17435 190.1
[M+CH3COO]- 467.19000 232.3
[M+Na-2H]- 429.15082 187.8
[M]+ 408.17560 196.2
[M]- 408.17670 196.2
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