CID 5712112

127034-55-3

Structural Information

Molecular Formula

C₁₈H₁₈O₄

SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O4/c1-20-16-11-13(12-17(21-2)18(16)22-3)9-10-15(19)14-7-5-4-6-8-14/h4-12H,1-3H3/b10-9+

InChIKey

MFDFEQQOFGIZAS-MDZDMXLPSA-N

Compound name

(E)-1-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1
Patents: 298.1205 Da
Monoisotopic Mass: 3.6
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]+	299.12778	168.1
[M+Na]+	321.10972	175.8
[M-H]-	297.11322	175.0
[M+NH4]+	316.15432	183.4
[M+K]+	337.08366	172.8
[M+H-H2O]+	281.11776	160.0
[M+HCOO]-	343.11870	191.4
[M+CH3COO]-	357.13435	204.2
[M+Na-2H]-	319.09517	170.8
[M]+	298.11995	173.4
[M]-	298.12105	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe