CID 16073203

Schembl2840501

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-3-4-12-23-15-10-11-17-16(13-15)18(20(22)21-2)19(24-17)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,21,22)

InChIKey

LOCSDBYBZQSOLD-UHFFFAOYSA-N

Compound name

5-butoxy-N-methyl-2-phenyl-1-benzofuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 323.15213 Da
Monoisotopic Mass: 4.5
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]+	324.159406	177.5
[M+Na]+	346.141348	185.6
[M-H]-	322.144854	186.3
[M+NH4]+	341.185953	193.1
[M+K]+	362.115288	182.3
[M+H-H2O]+	306.149390	169.7
[M+HCOO]-	368.150331	201.7
[M+CH3COO]-	382.165981	211.2
[M+Na-2H]-	344.126796	181.5
[M]+	323.15158142	183.6
[M]-	323.15267858	183.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe