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

6
Patents

199.00516 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.012436 136.3
[M+Na]+ 221.994378 147.2
[M-H]- 197.997884 134.7
[M+NH4]+ 217.038983 153.7
[M+K]+ 237.968318 142.5
[M+H-H2O]+ 182.002420 130.4
[M+HCOO]- 244.003361 148.0
[M+CH3COO]- 258.019011 148.1
[M+Na-2H]- 219.979826 143.4
[M]+ 199.00461142 134.7
[M]- 199.00570858 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