CID 6474669

Schembl25236326

Structural Information

Molecular Formula

C₁₉H₂₀O₄

SMILES

CCOC1=CC(=C(C(=C1)OCC)C(=O)/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C19H20O4/c1-3-22-15-12-17(21)19(18(13-15)23-4-2)16(20)11-10-14-8-6-5-7-9-14/h5-13,21H,3-4H2,1-2H3/b11-10+

InChIKey

OIZPSTPFHGBAOQ-ZHACJKMWSA-N

Compound name

(E)-1-(2,4-diethoxy-6-hydroxyphenyl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 312.13617 Da
Monoisotopic Mass: 4.6
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]+	313.14345	173.2
[M+Na]+	335.12539	180.0
[M-H]-	311.12889	178.5
[M+NH4]+	330.16999	187.2
[M+K]+	351.09933	175.9
[M+H-H2O]+	295.13343	165.2
[M+HCOO]-	357.13437	194.6
[M+CH3COO]-	371.15002	204.7
[M+Na-2H]-	333.11084	174.9
[M]+	312.13562	177.0
[M]-	312.13672	177.0

Literature stripe

literature stripe

Patent stripe

patents stripe