CID 16728076

Chembl437940

Structural Information

Molecular Formula
C21H22FN5O6S2
SMILES
CNS(=O)(=O)C1=C(C=CC(=C1)F)CNC(=O)C2=C(C3=C(C=CC=N3)C(=N2)N4CCCCS4(=O)=O)O
InChI
InChI=1S/C21H22FN5O6S2/c1-23-35(32,33)16-11-14(22)7-6-13(16)12-25-21(29)18-19(28)17-15(5-4-8-24-17)20(26-18)27-9-2-3-10-34(27,30)31/h4-8,11,23,28H,2-3,9-10,12H2,1H3,(H,25,29)
InChIKey
MDXLFERPCWCEQE-UHFFFAOYSA-N
Compound name
5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylsulfamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

523.09955 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.10683 211.9
[M+Na]+ 546.08877 218.1
[M-H]- 522.09227 214.3
[M+NH4]+ 541.13337 215.2
[M+K]+ 562.06271 211.3
[M+H-H2O]+ 506.09681 202.2
[M+HCOO]- 568.09775 215.2
[M+CH3COO]- 582.11340 241.4
[M+Na-2H]- 544.07422 217.4
[M]+ 523.09900 212.6
[M]- 523.10010 212.6
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.