CID 93230

Thiuram ef

Structural Information

Molecular Formula
C18H20N2S4
SMILES
CCN(C1=CC=CC=C1)C(=S)SSC(=S)N(CC)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2S4/c1-3-19(15-11-7-5-8-12-15)17(21)23-24-18(22)20(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey
DNCLGFHLBSMLPC-UHFFFAOYSA-N
Compound name
[ethyl(phenyl)carbamothioyl]sulfanyl N-ethyl-N-phenylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

221
Patents

392.05093 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.05821 187.8
[M+Na]+ 415.04015 191.6
[M-H]- 391.04365 192.6
[M+NH4]+ 410.08475 199.1
[M+K]+ 431.01409 181.9
[M+H-H2O]+ 375.04819 179.0
[M+HCOO]- 437.04913 188.2
[M+CH3COO]- 451.06478 224.2
[M+Na-2H]- 413.02560 187.4
[M]+ 392.05038 186.3
[M]- 392.05148 186.3
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.