CID 467187

Spiro[5h-thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione

Structural Information

Molecular Formula
C17H11N3O2S
SMILES
C1C(=O)N2C(=NC(=O)C3(N2)C4=CC=CC=C4C5=CC=CC=C35)S1
InChI
InChI=1S/C17H11N3O2S/c21-14-9-23-16-18-15(22)17(19-20(14)16)12-7-3-1-5-10(12)11-6-2-4-8-13(11)17/h1-8,19H,9H2
InChIKey
XULPPNCWNRIBJT-UHFFFAOYSA-N
Compound name
spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.0572 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06448 172.2
[M+Na]+ 344.04642 184.5
[M-H]- 320.04992 176.5
[M+NH4]+ 339.09102 191.7
[M+K]+ 360.02036 177.5
[M+H-H2O]+ 304.05446 165.3
[M+HCOO]- 366.05540 183.1
[M+CH3COO]- 380.07105 183.2
[M+Na-2H]- 342.03187 174.6
[M]+ 321.05665 173.2
[M]- 321.05775 173.2
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

No patent data available for this compound.