CID 13379289

Brn 4555042

Structural Information

Molecular Formula
C11H14N4O4S2
SMILES
C1CSC2=NC=C(C(=O)N21)C(=O)NN3CCS(=O)(=O)CC3
InChI
InChI=1S/C11H14N4O4S2/c16-9(13-14-2-5-21(18,19)6-3-14)8-7-12-11-15(10(8)17)1-4-20-11/h7H,1-6H2,(H,13,16)
InChIKey
OVAXQYQKXZBJSV-UHFFFAOYSA-N
Compound name
N-(1,1-dioxo-1,4-thiazinan-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.04565 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05293 167.1
[M+Na]+ 353.03487 175.7
[M-H]- 329.03837 170.1
[M+NH4]+ 348.07947 181.9
[M+K]+ 369.00881 171.3
[M+H-H2O]+ 313.04291 161.0
[M+HCOO]- 375.04385 174.8
[M+CH3COO]- 389.05950 176.9
[M+Na-2H]- 351.02032 169.2
[M]+ 330.04510 167.7
[M]- 330.04620 167.7
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.