CID 135403095

303776-73-0

Structural Information

Molecular Formula
C16H11N3O4S
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C3=NS(=O)(=O)C4=CC=CC=C4N3)O
InChI
InChI=1S/C16H11N3O4S/c20-14-9-5-1-2-6-10(9)18-16(21)13(14)15-17-11-7-3-4-8-12(11)24(22,23)19-15/h1-8H,(H,17,19)(H2,18,20,21)
InChIKey
ZHQPRBRAQYOKMI-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

30
Patents

341.04703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05431 174.4
[M+Na]+ 364.03625 186.4
[M-H]- 340.03975 176.0
[M+NH4]+ 359.08085 186.3
[M+K]+ 380.01019 178.3
[M+H-H2O]+ 324.04429 166.1
[M+HCOO]- 386.04523 183.9
[M+CH3COO]- 400.06088 183.9
[M+Na-2H]- 362.02170 181.4
[M]+ 341.04648 174.9
[M]- 341.04758 174.9
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.