CID 16073270

Schembl2838530

Structural Information

Molecular Formula
C17H15FN2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)O)NS(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O5S/c1-19-17(22)15-11-7-13(21)12(20-26(2,23)24)8-14(11)25-16(15)9-3-5-10(18)6-4-9/h3-8,20-21H,1-2H3,(H,19,22)
InChIKey
RRMJJOHGSQLVKH-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-hydroxy-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

378.06857 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07585 183.7
[M+Na]+ 401.05779 193.6
[M-H]- 377.06129 190.9
[M+NH4]+ 396.10239 196.7
[M+K]+ 417.03173 190.0
[M+H-H2O]+ 361.06583 176.3
[M+HCOO]- 423.06677 201.3
[M+CH3COO]- 437.08242 217.8
[M+Na-2H]- 399.04324 187.2
[M]+ 378.06802 189.3
[M]- 378.06912 189.3
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

patents stripe