CID 16073198

2-(4-fluoro-phenyl)-6-(1-hydroxy-1-methyl-ethyl)-5-methoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C20H20FNO4
SMILES
CC(C)(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC)O
InChI
InChI=1S/C20H20FNO4/c1-20(2,24)14-10-15-13(9-16(14)25-4)17(19(23)22-3)18(26-15)11-5-7-12(21)8-6-11/h5-10,24H,1-4H3,(H,22,23)
InChIKey
MCSYUPVHCQKLDU-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

357.13763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14491 183.7
[M+Na]+ 380.12685 193.2
[M-H]- 356.13035 190.8
[M+NH4]+ 375.17145 197.7
[M+K]+ 396.10079 190.2
[M+H-H2O]+ 340.13489 176.1
[M+HCOO]- 402.13583 203.8
[M+CH3COO]- 416.15148 216.8
[M+Na-2H]- 378.11230 186.6
[M]+ 357.13708 188.7
[M]- 357.13818 188.7
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