CID 332173

42207-85-2

Structural Information

Molecular Formula
C14H20N4S5
SMILES
CCN(CC)C(=S)SC1=C(C(=NS1)SC(=S)N(CC)CC)C#N
InChI
InChI=1S/C14H20N4S5/c1-5-17(6-2)13(19)21-11-10(9-15)12(23-16-11)22-14(20)18(7-3)8-4/h5-8H2,1-4H3
InChIKey
INIMBGNKJIGYPY-UHFFFAOYSA-N
Compound name
[4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

404.02914 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.03642 204.0
[M+Na]+ 427.01836 210.8
[M-H]- 403.02186 205.8
[M+NH4]+ 422.06296 214.3
[M+K]+ 442.99230 203.6
[M+H-H2O]+ 387.02640 190.8
[M+HCOO]- 449.02734 195.4
[M+CH3COO]- 463.04299 234.7
[M+Na-2H]- 425.00381 200.0
[M]+ 404.02859 198.1
[M]- 404.02969 198.1
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

No patent data available for this compound.