CID 45092831

807283-74-5

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
CNCC1=NS(=O)(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C9H11N3O2S/c1-10-6-9-11-7-4-2-3-5-8(7)15(13,14)12-9/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey
MIYWZRKAJSDVTK-UHFFFAOYSA-N
Compound name
1-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0572 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 143.3
[M+Na]+ 248.04642 153.3
[M-H]- 224.04992 144.2
[M+NH4]+ 243.09102 161.7
[M+K]+ 264.02036 148.6
[M+H-H2O]+ 208.05446 137.0
[M+HCOO]- 270.05540 158.9
[M+CH3COO]- 284.07105 185.1
[M+Na-2H]- 246.03187 151.0
[M]+ 225.05665 144.0
[M]- 225.05775 144.0
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

No patent data available for this compound.