CID 135421576

303776-75-2

Structural Information

Molecular Formula
C17H13N3O4S
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)O
InChI
InChI=1S/C17H13N3O4S/c1-20-12-8-4-2-6-10(12)15(21)14(17(20)22)16-18-11-7-3-5-9-13(11)25(23,24)19-16/h2-9,21H,1H3,(H,18,19)
InChIKey
DUHQVLKKFXKCFZ-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

355.06268 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06996 179.3
[M+Na]+ 378.05190 191.9
[M-H]- 354.05540 182.3
[M+NH4]+ 373.09650 191.4
[M+K]+ 394.02584 184.5
[M+H-H2O]+ 338.05994 170.4
[M+HCOO]- 400.06088 189.8
[M+CH3COO]- 414.07653 189.2
[M+Na-2H]- 376.03735 185.2
[M]+ 355.06213 182.1
[M]- 355.06323 182.1
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

No patent data available for this compound.