CID 116789

3,4-dimethyl-4h-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

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]+ 212.04883 143.1
[M+Na]+ 234.03077 157.5
[M+NH4]+ 229.07537 152.3
[M+K]+ 250.00471 147.6
[M-H]- 210.03427 143.8
[M+Na-2H]- 232.01622 150.2
[M]+ 211.04100 146.0
[M]- 211.04210 146.0
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.