CID 53417

75883-55-5

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₅

SMILES

CC(=O)NC1=C(C2=C(C(=C1OCCNC)OC)OC=C2)OC

InChI

InChI=1S/C15H20N2O5/c1-9(18)17-11-12(19-3)10-5-7-21-13(10)15(20-4)14(11)22-8-6-16-2/h5,7,16H,6,8H2,1-4H3,(H,17,18)

InChIKey

UZXWFQWISJLLJO-UHFFFAOYSA-N

Compound name

N-[4,7-dimethoxy-6-[2-(methylamino)ethoxy]-1-benzofuran-5-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.1372 Da
Monoisotopic Mass: 1.0
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]+	309.144476	169.4
[M+Na]+	331.126418	177.8
[M-H]-	307.129924	175.5
[M+NH4]+	326.171023	185.8
[M+K]+	347.100358	177.5
[M+H-H2O]+	291.134460	162.4
[M+HCOO]-	353.135401	195.1
[M+CH3COO]-	367.151051	211.3
[M+Na-2H]-	329.111866	174.0
[M]+	308.13665142	178.8
[M]-	308.13774858	178.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.