CID 3066853

2h-1,3-thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo-

Structural Information

Molecular Formula
C14H20N2O2S4
SMILES
C1CSC(=O)N(C1=S)CCCCCCN2C(=S)CCSC2=O
InChI
InChI=1S/C14H20N2O2S4/c17-13-15(11(19)5-9-21-13)7-3-1-2-4-8-16-12(20)6-10-22-14(16)18/h1-10H2
InChIKey
WQDLBHJJNSIKFR-UHFFFAOYSA-N
Compound name
3-[6-(2-oxo-4-sulfanylidene-1,3-thiazinan-3-yl)hexyl]-4-sulfanylidene-1,3-thiazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.04077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04805 175.3
[M+Na]+ 399.02999 182.5
[M+NH4]+ 394.07459 182.1
[M+K]+ 415.00393 170.2
[M-H]- 375.03349 177.0
[M+Na-2H]- 397.01544 175.5
[M]+ 376.04022 178.3
[M]- 376.04132 178.3
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.