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

literature stripe

Patent stripe

patents stripe