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

158
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

literature stripe

Patent stripe

patents stripe