CID 24846653

104746-33-0

Structural Information

Molecular Formula
C12H16N2O4S2
SMILES
C1CSC(=O)N(C1=O)CCCCN2C(=O)CCSC2=O
InChI
InChI=1S/C12H16N2O4S2/c15-9-3-7-19-11(17)13(9)5-1-2-6-14-10(16)4-8-20-12(14)18/h1-8H2
InChIKey
BOZLLIJVYKNKCD-UHFFFAOYSA-N
Compound name
3-[4-(2,4-dioxo-1,3-thiazinan-3-yl)butyl]-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.05515 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06243 168.3
[M+Na]+ 339.04437 173.6
[M-H]- 315.04787 170.5
[M+NH4]+ 334.08897 180.3
[M+K]+ 355.01831 168.7
[M+H-H2O]+ 299.05241 160.8
[M+HCOO]- 361.05335 173.1
[M+CH3COO]- 375.06900 201.7
[M+Na-2H]- 337.02982 164.9
[M]+ 316.05460 166.9
[M]- 316.05570 166.9
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.