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: 14
Patents: 279.12592 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.133196	164.9
[M+Na]+	302.115138	174.1
[M-H]-	278.118644	174.1
[M+NH4]+	297.159743	182.4
[M+K]+	318.089078	170.5
[M+H-H2O]+	262.123180	157.7
[M+HCOO]-	324.124121	189.6
[M+CH3COO]-	338.139771	178.1
[M+Na-2H]-	300.100586	169.9
[M]+	279.12537142	168.9
[M]-	279.12646858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe