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]+ 226.064476 143.3
[M+Na]+ 248.046418 153.3
[M-H]- 224.049924 144.2
[M+NH4]+ 243.091023 161.7
[M+K]+ 264.020358 148.6
[M+H-H2O]+ 208.054460 137.0
[M+HCOO]- 270.055401 158.9
[M+CH3COO]- 284.071051 185.1
[M+Na-2H]- 246.031866 151.0
[M]+ 225.05665142 144.0
[M]- 225.05774858 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.