CID 725663

N-(4-methylphenyl)-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C16H13NO2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C16H13NO2/c1-11-6-8-13(9-7-11)17-16(18)15-10-12-4-2-3-5-14(12)19-15/h2-10H,1H3,(H,17,18)
InChIKey
GXIYCSNSKFMPFT-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

251.09464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 155.1
[M+Na]+ 274.083858 164.4
[M-H]- 250.087364 164.4
[M+NH4]+ 269.128463 173.6
[M+K]+ 290.057798 161.2
[M+H-H2O]+ 234.091900 148.2
[M+HCOO]- 296.092841 180.6
[M+CH3COO]- 310.108491 169.0
[M+Na-2H]- 272.069306 162.1
[M]+ 251.09409142 158.1
[M]- 251.09518858 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.