CID 9970839

5-ethyl-n-methyl-2-phenyl-benzofuran-3-carboxamide

Structural Information

Molecular Formula
C18H17NO2
SMILES
CCC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-3-12-9-10-15-14(11-12)16(18(20)19-2)17(21-15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKey
XDRBCMWPUVCHQE-UHFFFAOYSA-N
Compound name
5-ethyl-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

279.12592 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 164.9
[M+Na]+ 302.11514 174.1
[M-H]- 278.11864 174.1
[M+NH4]+ 297.15974 182.4
[M+K]+ 318.08908 170.5
[M+H-H2O]+ 262.12318 157.7
[M+HCOO]- 324.12412 189.6
[M+CH3COO]- 338.13977 178.1
[M+Na-2H]- 300.10059 169.9
[M]+ 279.12537 168.9
[M]- 279.12647 168.9
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