CID 3066852

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

Structural Information

Molecular Formula
C12H16N2O2S4
SMILES
C1CSC(=O)N(C1=S)CCCCN2C(=S)CCSC2=O
InChI
InChI=1S/C12H16N2O2S4/c15-11-13(9(17)3-7-19-11)5-1-2-6-14-10(18)4-8-20-12(14)16/h1-8H2
InChIKey
CBXQNSVPOYUJDH-UHFFFAOYSA-N
Compound name
3-[4-(2-oxo-4-sulfanylidene-1,3-thiazinan-3-yl)butyl]-4-sulfanylidene-1,3-thiazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.00946 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01674 173.2
[M+Na]+ 370.99868 178.2
[M-H]- 347.00218 172.8
[M+NH4]+ 366.04328 183.3
[M+K]+ 386.97262 167.9
[M+H-H2O]+ 331.00672 166.8
[M+HCOO]- 393.00766 166.3
[M+CH3COO]- 407.02331 208.1
[M+Na-2H]- 368.98413 169.0
[M]+ 348.00891 166.5
[M]- 348.01001 166.5
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.