CID 6475718

Mls000697642

Structural Information

Molecular Formula

C₁₉H₂₀O₆

SMILES

COCOC1=CC(=C(C(=C1)OCOC)C(=O)/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C19H20O6/c1-22-12-24-15-10-17(21)19(18(11-15)25-13-23-2)16(20)9-8-14-6-4-3-5-7-14/h3-11,21H,12-13H2,1-2H3/b9-8+

InChIKey

YINAAZRIIMRSGH-CMDGGOBGSA-N

Compound name

(E)-1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 7
Patents: 344.12598 Da
Monoisotopic Mass: 3.7
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]+	345.13326	178.8
[M+Na]+	367.11520	185.1
[M-H]-	343.11870	184.0
[M+NH4]+	362.15980	191.1
[M+K]+	383.08914	182.4
[M+H-H2O]+	327.12324	170.1
[M+HCOO]-	389.12418	200.5
[M+CH3COO]-	403.13983	209.0
[M+Na-2H]-	365.10065	180.6
[M]+	344.12543	185.3
[M]-	344.12653	185.3

Literature stripe

literature stripe

Patent stripe

patents stripe