CID 3066851

111480-06-9

Structural Information

Molecular Formula
C10H12N2O2S4
SMILES
C1CSC(=O)N(C1=S)CCN2C(=S)CCSC2=O
InChI
InChI=1S/C10H12N2O2S4/c13-9-11(7(15)1-5-17-9)3-4-12-8(16)2-6-18-10(12)14/h1-6H2
InChIKey
DKVXTDHZXCZXBI-UHFFFAOYSA-N
Compound name
3-[2-(2-oxo-4-sulfanylidene-1,3-thiazinan-3-yl)ethyl]-4-sulfanylidene-1,3-thiazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.97815 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.98543 166.5
[M+Na]+ 342.96737 172.4
[M-H]- 318.97087 166.5
[M+NH4]+ 338.01197 177.6
[M+K]+ 358.94131 162.5
[M+H-H2O]+ 302.97541 160.4
[M+HCOO]- 364.97635 160.2
[M+CH3COO]- 378.99200 202.8
[M+Na-2H]- 340.95282 162.9
[M]+ 319.97760 159.2
[M]- 319.97870 159.2
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.