CID 116789

70661-85-7

Structural Information

Molecular Formula
C8H9N3O2S
SMILES
CC1=NS(=O)(=O)C2=C(N1C)N=CC=C2
InChI
InChI=1S/C8H9N3O2S/c1-6-10-14(12,13)7-4-3-5-9-8(7)11(6)2/h3-5H,1-2H3
InChIKey
OPIHSEIJVQHIOX-UHFFFAOYSA-N
Compound name
3,4-dimethylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

211.04155 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.048826 139.6
[M+Na]+ 234.030768 152.3
[M-H]- 210.034274 141.3
[M+NH4]+ 229.075373 158.6
[M+K]+ 250.004708 148.8
[M+H-H2O]+ 194.038810 133.0
[M+HCOO]- 256.039751 154.7
[M+CH3COO]- 270.055401 153.1
[M+Na-2H]- 232.016216 146.7
[M]+ 211.04100142 143.4
[M]- 211.04209858 143.4
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.