CID 16073175

N-methyl-2-phenyl-5-(trifluoromethoxy)benzofuran-3-carboxamide

Structural Information

Molecular Formula
C17H12F3NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C17H12F3NO3/c1-21-16(22)14-12-9-11(24-17(18,19)20)7-8-13(12)23-15(14)10-5-3-2-4-6-10/h2-9H,1H3,(H,21,22)
InChIKey
LBTMJAYBAGPRTF-UHFFFAOYSA-N
Compound name
N-methyl-2-phenyl-5-(trifluoromethoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

335.07693 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08421 172.5
[M+Na]+ 358.06615 182.6
[M-H]- 334.06965 178.1
[M+NH4]+ 353.11075 187.6
[M+K]+ 374.04009 179.1
[M+H-H2O]+ 318.07419 163.0
[M+HCOO]- 380.07513 193.0
[M+CH3COO]- 394.09078 210.1
[M+Na-2H]- 356.05160 177.4
[M]+ 335.07638 173.8
[M]- 335.07748 173.8
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