CID 135433053

Chembl202250

Structural Information

Molecular Formula
C19H17N3O4S
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)O
InChI
InChI=1S/C19H17N3O4S/c1-2-11-22-14-9-5-3-7-12(14)17(23)16(19(22)24)18-20-13-8-4-6-10-15(13)27(25,26)21-18/h3-10,23H,2,11H2,1H3,(H,20,21)
InChIKey
SQSZIRTZMLJECR-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-propylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

383.09396 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.10124 187.5
[M+Na]+ 406.08318 199.2
[M-H]- 382.08668 190.1
[M+NH4]+ 401.12778 198.5
[M+K]+ 422.05712 191.4
[M+H-H2O]+ 366.09122 178.3
[M+HCOO]- 428.09216 197.3
[M+CH3COO]- 442.10781 196.6
[M+Na-2H]- 404.06863 192.5
[M]+ 383.09341 190.9
[M]- 383.09451 190.9
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.