CID 3054012

Brn 1074432

Structural Information

Molecular Formula
C6H5N3O2S
SMILES
C1=CC2=C(NC=NS2(=O)=O)N=C1
InChI
InChI=1S/C6H5N3O2S/c10-12(11)5-2-1-3-7-6(5)8-4-9-12/h1-4H,(H,7,8,9)
InChIKey
XTJZVZARRFTFMX-UHFFFAOYSA-N
Compound name
4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

183.01025 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01753 132.0
[M+Na]+ 205.99947 143.4
[M-H]- 182.00297 131.8
[M+NH4]+ 201.04407 150.8
[M+K]+ 221.97341 139.4
[M+H-H2O]+ 166.00751 125.5
[M+HCOO]- 228.00845 146.3
[M+CH3COO]- 242.02410 144.9
[M+Na-2H]- 203.98492 140.9
[M]+ 183.00970 132.4
[M]- 183.01080 132.4
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

patents stripe