CID 5319759

O-methylpongamol

Structural Information

Molecular Formula

C₁₉H₁₆O₄

SMILES

COC1=C(C=CC2=C1C=CO2)C(=O)/C=C(/C3=CC=CC=C3)\OC

InChI

InChI=1S/C19H16O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-12H,1-2H3/b18-12-

InChIKey

AZSIHEYWWIVBPP-PDGQHHTCSA-N

Compound name

(Z)-3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 308.10486 Da
Monoisotopic Mass: 3.8
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]+	309.112136	171.0
[M+Na]+	331.094078	179.4
[M-H]-	307.097584	179.9
[M+NH4]+	326.138683	187.1
[M+K]+	347.068018	176.9
[M+H-H2O]+	291.102120	163.7
[M+HCOO]-	353.103061	194.0
[M+CH3COO]-	367.118711	204.3
[M+Na-2H]-	329.079526	174.7
[M]+	308.10431142	177.1
[M]-	308.10540858	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe