CID 686143

5-methoxy-n-methyl-2-phenyl-1-benzofuran-3-carboxamide

Structural Information

Molecular Formula
C17H15NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-18-17(19)15-13-10-12(20-2)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
InChIKey
VGLAKBPROWKMNV-UHFFFAOYSA-N
Compound name
5-methoxy-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

281.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.1
[M+Na]+ 304.09442 172.6
[M-H]- 280.09792 172.6
[M+NH4]+ 299.13902 180.5
[M+K]+ 320.06836 170.0
[M+H-H2O]+ 264.10246 156.0
[M+HCOO]- 326.10340 188.4
[M+CH3COO]- 340.11905 202.3
[M+Na-2H]- 302.07987 168.9
[M]+ 281.10465 168.3
[M]- 281.10575 168.3
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

patents stripe