CID 121929

2h-1,2,4-benzothiadiazine-6-methanamine, 3-methyl-, 1,1-dioxide, monohydrochloride

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
CC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)CN
InChI
InChI=1S/C9H11N3O2S/c1-6-11-8-4-7(5-10)2-3-9(8)15(13,14)12-6/h2-4H,5,10H2,1H3,(H,11,12)
InChIKey
LBSXFXZKPFLDPO-UHFFFAOYSA-N
Compound name
(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

0
Patents

225.0572 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 144.0
[M+Na]+ 248.04642 154.9
[M-H]- 224.04992 144.8
[M+NH4]+ 243.09102 162.4
[M+K]+ 264.02036 149.9
[M+H-H2O]+ 208.05446 138.1
[M+HCOO]- 270.05540 158.9
[M+CH3COO]- 284.07105 185.7
[M+Na-2H]- 246.03187 150.0
[M]+ 225.05665 144.2
[M]- 225.05775 144.2
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.