CID 3070744

86842-19-5

Structural Information

Molecular Formula
C10H12N2O4S2
SMILES
C1CSC(=O)N(C1=O)CCN2C(=O)CCSC2=O
InChI
InChI=1S/C10H12N2O4S2/c13-7-1-5-17-9(15)11(7)3-4-12-8(14)2-6-18-10(12)16/h1-6H2
InChIKey
KHYTWGXVTLFEFG-UHFFFAOYSA-N
Compound name
3-[2-(2,4-dioxo-1,3-thiazinan-3-yl)ethyl]-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.02383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03111 160.4
[M+Na]+ 311.01305 166.7
[M-H]- 287.01655 163.0
[M+NH4]+ 306.05765 173.6
[M+K]+ 326.98699 162.1
[M+H-H2O]+ 271.02109 153.3
[M+HCOO]- 333.02203 165.9
[M+CH3COO]- 347.03768 195.8
[M+Na-2H]- 308.99850 157.8
[M]+ 288.02328 158.3
[M]- 288.02438 158.3
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.