CID 43458374

N-[(2-aminophenyl)methyl]-n-methyl-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂

SMILES

CN(CC1=CC=CC=C1N)C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H16N2O2/c1-19(11-13-7-2-4-8-14(13)18)17(20)16-10-12-6-3-5-9-15(12)21-16/h2-10H,11,18H2,1H3

InChIKey

XSRAOBHHWPYBSE-UHFFFAOYSA-N

Compound name

N-[(2-aminophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 280.1212 Da
Monoisotopic Mass: 2.9
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]+	281.128476	165.0
[M+Na]+	303.110418	172.9
[M-H]-	279.113924	174.8
[M+NH4]+	298.155023	182.1
[M+K]+	319.084358	170.6
[M+H-H2O]+	263.118460	157.2
[M+HCOO]-	325.119401	190.9
[M+CH3COO]-	339.135051	206.8
[M+Na-2H]-	301.095866	170.0
[M]+	280.12065142	167.8
[M]-	280.12174858	167.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.