CID 13379282

Brn 4536411

Structural Information

Molecular Formula
C11H13N3O4S2
SMILES
C1CSC2=NC=C(C(=O)N21)C(=O)N3CCS(=O)(=O)CC3
InChI
InChI=1S/C11H13N3O4S2/c15-9(13-2-5-20(17,18)6-3-13)8-7-12-11-14(10(8)16)1-4-19-11/h7H,1-6H2
InChIKey
CLFOPROOWFZJHK-UHFFFAOYSA-N
Compound name
6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.03476 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04204 165.0
[M+Na]+ 338.02398 174.6
[M-H]- 314.02748 168.3
[M+NH4]+ 333.06858 180.9
[M+K]+ 353.99792 170.4
[M+H-H2O]+ 298.03202 159.2
[M+HCOO]- 360.03296 171.8
[M+CH3COO]- 374.04861 175.4
[M+Na-2H]- 336.00943 165.8
[M]+ 315.03421 166.3
[M]- 315.03531 166.3
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.