CID 13650560

6,7-dimethoxy-3,4-dihydro-2h-1lambda6,2,4-benzothiadiazine-1,1,3-trione

Structural Information

Molecular Formula
C9H10N2O5S
SMILES
COC1=C(C=C2C(=C1)NC(=O)NS2(=O)=O)OC
InChI
InChI=1S/C9H10N2O5S/c1-15-6-3-5-8(4-7(6)16-2)17(13,14)11-9(12)10-5/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
CNYMOESRDGGECJ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.03104 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.038316 149.4
[M+Na]+ 281.020258 159.9
[M-H]- 257.023764 149.2
[M+NH4]+ 276.064863 166.1
[M+K]+ 296.994198 156.1
[M+H-H2O]+ 241.028300 143.9
[M+HCOO]- 303.029241 161.6
[M+CH3COO]- 317.044891 186.5
[M+Na-2H]- 279.005706 154.4
[M]+ 258.03049142 152.1
[M]- 258.03158858 152.1
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

patents stripe