CID 16073538

2-(4-fluoro-phenyl)-5-hydroxy-6-(methanesulfonyl-methoxymethyl-amino)-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C19H19FN2O6S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)O)N(CS(=O)(=O)C)OC)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H19FN2O6S/c1-21-19(24)17-13-8-15(23)14(22(27-2)10-29(3,25)26)9-16(13)28-18(17)11-4-6-12(20)7-5-11/h4-9,23H,10H2,1-3H3,(H,21,24)
InChIKey
XSOXVCCDTIIBED-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-hydroxy-6-[methoxy(methylsulfonylmethyl)amino]-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0948 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10208 195.6
[M+Na]+ 445.08402 204.3
[M-H]- 421.08752 203.9
[M+NH4]+ 440.12862 207.2
[M+K]+ 461.05796 202.5
[M+H-H2O]+ 405.09206 187.6
[M+HCOO]- 467.09300 213.1
[M+CH3COO]- 481.10865 229.1
[M+Na-2H]- 443.06947 197.9
[M]+ 422.09425 204.5
[M]- 422.09535 204.5
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.