CID 16073381

Schembl2840208

Structural Information

Molecular Formula
C18H17FN2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)O)N(C)S(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H17FN2O5S/c1-20-18(23)16-12-8-14(22)13(21(2)27(3,24)25)9-15(12)26-17(16)10-4-6-11(19)7-5-10/h4-9,22H,1-3H3,(H,20,23)
InChIKey
FZJQUXVKUXJRFM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

392.08423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09151 188.4
[M+Na]+ 415.07345 198.0
[M-H]- 391.07695 197.0
[M+NH4]+ 410.11805 201.5
[M+K]+ 431.04739 195.6
[M+H-H2O]+ 375.08149 180.9
[M+HCOO]- 437.08243 206.1
[M+CH3COO]- 451.09808 223.9
[M+Na-2H]- 413.05890 190.8
[M]+ 392.08368 195.6
[M]- 392.08478 195.6
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

patents stripe