CID 136141239

1311315-62-4

Structural Information

Molecular Formula
C10H8N4O4S
SMILES
COC(=O)C1=NN2C3=CC=CC=C3S(=O)(=O)NC2=N1
InChI
InChI=1S/C10H8N4O4S/c1-18-9(15)8-11-10-13-19(16,17)7-5-3-2-4-6(7)14(10)12-8/h2-5H,1H3,(H,11,12,13)
InChIKey
CIYREOGBZGEEEY-UHFFFAOYSA-N
Compound name
methyl 5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.0266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03388 159.5
[M+Na]+ 303.01582 171.3
[M+NH4]+ 298.06042 166.5
[M+K]+ 318.98976 165.1
[M-H]- 279.01932 157.6
[M+Na-2H]- 301.00127 163.3
[M]+ 280.02605 160.9
[M]- 280.02715 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.