CID 355227

Tetrabenzylthiuram disulfide

Structural Information

Molecular Formula
C30H28N2S4
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)SSC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
WITDFSFZHZYQHB-UHFFFAOYSA-N
Compound name
dibenzylcarbamothioylsulfanyl N,N-dibenzylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

9256
Patents

544.1135 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.12078 223.2
[M+Na]+ 567.10272 225.8
[M-H]- 543.10622 231.9
[M+NH4]+ 562.14732 228.2
[M+K]+ 583.07666 213.7
[M+H-H2O]+ 527.11076 213.2
[M+HCOO]- 589.11170 224.3
[M+CH3COO]- 603.12735 226.9
[M+Na-2H]- 565.08817 224.6
[M]+ 544.11295 220.9
[M]- 544.11405 220.9
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