CID 341509

Brn 5552024

Structural Information

Molecular Formula
C8H10N4O2S
SMILES
CN1C2=CC=CC=C2S(=O)(=O)N=C1NN
InChI
InChI=1S/C8H10N4O2S/c1-12-6-4-2-3-5-7(6)15(13,14)11-8(12)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey
RLJREWYVJDGKMF-UHFFFAOYSA-N
Compound name
(4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05244 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05972 142.7
[M+Na]+ 249.04166 153.5
[M-H]- 225.04516 144.9
[M+NH4]+ 244.08626 161.4
[M+K]+ 265.01560 149.5
[M+H-H2O]+ 209.04970 136.2
[M+HCOO]- 271.05064 160.3
[M+CH3COO]- 285.06629 189.6
[M+Na-2H]- 247.02711 150.2
[M]+ 226.05189 143.5
[M]- 226.05299 143.5
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.