CID 16073278

Schembl2842541

Structural Information

Molecular Formula
C16H13FN2O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)O)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FN2O3/c1-19-16(21)14-10-6-12(20)11(18)7-13(10)22-15(14)8-2-4-9(17)5-3-8/h2-7,20H,18H2,1H3,(H,19,21)
InChIKey
LPNVUEVRUYXWEL-UHFFFAOYSA-N
Compound name
6-amino-2-(4-fluorophenyl)-5-hydroxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

300.09103 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09831 166.6
[M+Na]+ 323.08025 177.0
[M-H]- 299.08375 173.6
[M+NH4]+ 318.12485 182.4
[M+K]+ 339.05419 173.0
[M+H-H2O]+ 283.08829 158.9
[M+HCOO]- 345.08923 189.9
[M+CH3COO]- 359.10488 207.0
[M+Na-2H]- 321.06570 169.9
[M]+ 300.09048 167.8
[M]- 300.09158 167.8
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