CID 3054010

2h-pyrido(2,3-e)-1,2,4-thiadiazin-3-amine, 1,1-dioxide

Structural Information

Molecular Formula
C6H6N4O2S
SMILES
C1=CC2=C(NC(=NS2(=O)=O)N)N=C1
InChI
InChI=1S/C6H6N4O2S/c7-6-9-5-4(2-1-3-8-5)13(11,12)10-6/h1-3H,(H3,7,8,9,10)
InChIKey
UQTJYTXARBUZHM-UHFFFAOYSA-N
Compound name
1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.02115 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02843 135.7
[M+Na]+ 221.01037 147.1
[M-H]- 197.01387 135.3
[M+NH4]+ 216.05497 153.6
[M+K]+ 236.98431 142.6
[M+H-H2O]+ 181.01841 129.4
[M+HCOO]- 243.01935 150.4
[M+CH3COO]- 257.03500 148.1
[M+Na-2H]- 218.99582 143.8
[M]+ 198.02060 134.9
[M]- 198.02170 134.9
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

patents stripe