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 156.9
[M+Na]+ 303.01582 169.3
[M-H]- 279.01932 156.9
[M+NH4]+ 298.06042 173.4
[M+K]+ 318.98976 165.2
[M+H-H2O]+ 263.02386 150.4
[M+HCOO]- 325.02480 168.8
[M+CH3COO]- 339.04045 168.5
[M+Na-2H]- 301.00127 162.3
[M]+ 280.02605 161.5
[M]- 280.02715 161.5
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.