CID 16073304

Schembl2839887

Structural Information

Molecular Formula
C17H14FNO4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FNO4/c1-19-17(21)15-11-7-14(22-2)12(20)8-13(11)23-16(15)9-3-5-10(18)6-4-9/h3-8,20H,1-2H3,(H,19,21)
InChIKey
RWYASGCYGTXJEV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-hydroxy-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

315.0907 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09798 169.4
[M+Na]+ 338.07992 180.1
[M-H]- 314.08342 176.8
[M+NH4]+ 333.12452 185.1
[M+K]+ 354.05386 176.9
[M+H-H2O]+ 298.08796 161.7
[M+HCOO]- 360.08890 192.2
[M+CH3COO]- 374.10455 207.4
[M+Na-2H]- 336.06537 172.9
[M]+ 315.09015 174.0
[M]- 315.09125 174.0
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