CID 5169036

76246-81-6

Structural Information

Molecular Formula

C₁₇H₁₈O₄

SMILES

CC(=O)C1=CC(=C(C(=C1)OC)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H18O4/c1-12(18)14-9-15(19-2)17(16(10-14)20-3)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3

InChIKey

VVNNLIIHXUFTIW-UHFFFAOYSA-N

Compound name

1-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.1205 Da
Monoisotopic Mass: 3.0
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]+	287.12778	165.3
[M+Na]+	309.10972	179.6
[M+NH4]+	304.15432	172.8
[M+K]+	325.08366	172.5
[M-H]-	285.11322	169.0
[M+Na-2H]-	307.09517	173.4
[M]+	286.11995	168.4
[M]-	286.12105	168.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.