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

3
References

1
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

patents stripe