CID 6451695

41225-90-5

Structural Information

Molecular Formula

C₁₆H₂₁NO₅

SMILES

CC(=O)C1=C(C2=C(C(=C1OCCN(C)C)OC)OC=C2)OC

InChI

InChI=1S/C16H21NO5/c1-10(18)12-13(19-4)11-6-8-21-14(11)16(20-5)15(12)22-9-7-17(2)3/h6,8H,7,9H2,1-5H3

InChIKey

KDDOADRHLRPEJZ-UHFFFAOYSA-N

Compound name

1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.14197 Da
Monoisotopic Mass: 2.0
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]+	308.149246	170.0
[M+Na]+	330.131188	179.2
[M-H]-	306.134694	177.5
[M+NH4]+	325.175793	187.5
[M+K]+	346.105128	179.9
[M+H-H2O]+	290.139230	163.5
[M+HCOO]-	352.140171	195.0
[M+CH3COO]-	366.155821	213.0
[M+Na-2H]-	328.116636	173.0
[M]+	307.14142142	181.9
[M]-	307.14251858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe