CID 9998367

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

Structural Information

Molecular Formula
C19H17FN2O4
SMILES
CC(=O)NC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C19H17FN2O4/c1-10(23)22-14-9-15-13(8-16(14)25-3)17(19(24)21-2)18(26-15)11-4-6-12(20)7-5-11/h4-9H,1-3H3,(H,21,24)(H,22,23)
InChIKey
LHAZUJKXMHLFJN-UHFFFAOYSA-N
Compound name
6-acetamido-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

356.11725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12453 182.7
[M+Na]+ 379.10647 191.8
[M-H]- 355.10997 191.1
[M+NH4]+ 374.15107 196.8
[M+K]+ 395.08041 189.2
[M+H-H2O]+ 339.11451 174.0
[M+HCOO]- 401.11545 206.4
[M+CH3COO]- 415.13110 220.5
[M+Na-2H]- 377.09192 184.7
[M]+ 356.11670 187.6
[M]- 356.11780 187.6
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

No patent data available for this compound.