CID 10448339

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

Structural Information

Molecular Formula
C17H15FN2O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O3/c1-20-17(21)15-11-7-14(22-2)12(19)8-13(11)23-16(15)9-3-5-10(18)6-4-9/h3-8H,19H2,1-2H3,(H,20,21)
InChIKey
OLCFBMURPRQLBQ-UHFFFAOYSA-N
Compound name
6-amino-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

314.10666 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11394 171.3
[M+Na]+ 337.09588 181.7
[M-H]- 313.09938 179.5
[M+NH4]+ 332.14048 187.2
[M+K]+ 353.06982 178.4
[M+H-H2O]+ 297.10392 163.1
[M+HCOO]- 359.10486 195.8
[M+CH3COO]- 373.12051 212.2
[M+Na-2H]- 335.08133 174.5
[M]+ 314.10611 174.6
[M]- 314.10721 174.6
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