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]+ 212.04883 139.6
[M+Na]+ 234.03077 152.3
[M-H]- 210.03427 141.3
[M+NH4]+ 229.07537 158.6
[M+K]+ 250.00471 148.8
[M+H-H2O]+ 194.03881 133.0
[M+HCOO]- 256.03975 154.7
[M+CH3COO]- 270.05540 153.1
[M+Na-2H]- 232.01622 146.7
[M]+ 211.04100 143.4
[M]- 211.04210 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.