CID 3000624

87344-00-1

Structural Information

Molecular Formula
C9H9N3O2S3
SMILES
CNC(=S)SC1=NS(=O)(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C9H9N3O2S3/c1-10-9(15)16-8-11-6-4-2-3-5-7(6)17(13,14)12-8/h2-5H,1H3,(H,10,15)(H,11,12)
InChIKey
GAAWVSXXMPHDDL-UHFFFAOYSA-N
Compound name
(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl) N-methylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.9857 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.99298 152.5
[M+Na]+ 309.97492 161.6
[M-H]- 285.97842 151.5
[M+NH4]+ 305.01952 167.9
[M+K]+ 325.94886 153.6
[M+H-H2O]+ 269.98296 147.4
[M+HCOO]- 331.98390 155.4
[M+CH3COO]- 345.99955 161.9
[M+Na-2H]- 307.96037 157.4
[M]+ 286.98515 151.9
[M]- 286.98625 151.9
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.