CID 10450038

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

Structural Information

Molecular Formula
C19H19FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N
InChI
InChI=1S/C19H19FN2O3/c1-10(2)24-16-8-13-15(9-14(16)21)25-18(17(13)19(23)22-3)11-4-6-12(20)7-5-11/h4-10H,21H2,1-3H3,(H,22,23)
InChIKey
FVPSBNBBYQCYMC-UHFFFAOYSA-N
Compound name
6-amino-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

342.13797 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14525 181.4
[M+Na]+ 365.12719 190.5
[M-H]- 341.13069 189.3
[M+NH4]+ 360.17179 196.0
[M+K]+ 381.10113 187.4
[M+H-H2O]+ 325.13523 173.0
[M+HCOO]- 387.13617 204.1
[M+CH3COO]- 401.15182 219.1
[M+Na-2H]- 363.11264 182.3
[M]+ 342.13742 184.7
[M]- 342.13852 184.7
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