CID 3054009

70661-80-2

Structural Information

Molecular Formula
C6H5N3O3S
SMILES
C1=CC2=C(NC(=O)NS2(=O)=O)N=C1
InChI
InChI=1S/C6H5N3O3S/c10-6-8-5-4(2-1-3-7-5)13(11,12)9-6/h1-3H,(H2,7,8,9,10)
InChIKey
REIOLZVTBJXGNA-UHFFFAOYSA-N
Compound name
1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.00516 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01244 136.3
[M+Na]+ 221.99438 147.2
[M-H]- 197.99788 134.7
[M+NH4]+ 217.03898 153.7
[M+K]+ 237.96832 142.5
[M+H-H2O]+ 182.00242 130.4
[M+HCOO]- 244.00336 148.0
[M+CH3COO]- 258.01901 148.1
[M+Na-2H]- 219.97983 143.4
[M]+ 199.00461 134.7
[M]- 199.00571 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe