CID 10383158

N-methyl-2-phenyl-5-(2,2,2-trifluoroethoxy)benzofuran-3-carboxamide

Structural Information

Molecular Formula
C18H14F3NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OCC(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C18H14F3NO3/c1-22-17(23)15-13-9-12(24-10-18(19,20)21)7-8-14(13)25-16(15)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,22,23)
InChIKey
OGHXEJYYLVBVEU-UHFFFAOYSA-N
Compound name
N-methyl-2-phenyl-5-(2,2,2-trifluoroethoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

349.0926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09988 177.4
[M+Na]+ 372.08182 187.0
[M-H]- 348.08532 182.7
[M+NH4]+ 367.12642 191.9
[M+K]+ 388.05576 183.3
[M+H-H2O]+ 332.08986 167.7
[M+HCOO]- 394.09080 197.4
[M+CH3COO]- 408.10645 213.1
[M+Na-2H]- 370.06727 181.7
[M]+ 349.09205 179.0
[M]- 349.09315 179.0
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