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

3
Patents

258.03104 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03832 149.4
[M+Na]+ 281.02026 159.9
[M-H]- 257.02376 149.2
[M+NH4]+ 276.06486 166.1
[M+K]+ 296.99420 156.1
[M+H-H2O]+ 241.02830 143.9
[M+HCOO]- 303.02924 161.6
[M+CH3COO]- 317.04489 186.5
[M+Na-2H]- 279.00571 154.4
[M]+ 258.03049 152.1
[M]- 258.03159 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