CID 218480

Brn 1688794

Structural Information

Molecular Formula

C₁₆H₂₁NO₄

SMILES

CCN(CC)C(=O)C1=C(C2=C(O1)C(=C(C=C2)OC)OC)C

InChI

InChI=1S/C16H21NO4/c1-6-17(7-2)16(18)13-10(3)11-8-9-12(19-4)15(20-5)14(11)21-13/h8-9H,6-7H2,1-5H3

InChIKey

WBMAARBKBKDIGJ-UHFFFAOYSA-N

Compound name

N,N-diethyl-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.14706 Da
Monoisotopic Mass: 3.2
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]+	292.154336	167.6
[M+Na]+	314.136278	177.0
[M-H]-	290.139784	175.2
[M+NH4]+	309.180883	186.0
[M+K]+	330.110218	177.1
[M+H-H2O]+	274.144320	161.3
[M+HCOO]-	336.145261	192.4
[M+CH3COO]-	350.160911	210.2
[M+Na-2H]-	312.121726	170.4
[M]+	291.14651142	178.0
[M]-	291.14760858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.