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 179.8
[M+Na]+ 399.02999 183.9
[M-H]- 375.03349 179.0
[M+NH4]+ 394.07459 188.8
[M+K]+ 415.00393 173.3
[M+H-H2O]+ 359.03803 173.0
[M+HCOO]- 421.03897 172.4
[M+CH3COO]- 435.05462 213.4
[M+Na-2H]- 397.01544 175.1
[M]+ 376.04022 173.7
[M]- 376.04132 173.7
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.