CID 10108758

2-(4-fluoro-phenyl)-5-methoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C17H14FNO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FNO3/c1-19-17(20)15-13-9-12(21-2)7-8-14(13)22-16(15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKey
ZSTUBVKWBUJUBT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

299.09576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10304 166.3
[M+Na]+ 322.08498 176.8
[M-H]- 298.08848 174.7
[M+NH4]+ 317.12958 183.2
[M+K]+ 338.05892 173.7
[M+H-H2O]+ 282.09302 158.3
[M+HCOO]- 344.09396 190.5
[M+CH3COO]- 358.10961 206.2
[M+Na-2H]- 320.07043 170.7
[M]+ 299.09521 170.8
[M]- 299.09631 170.8
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