CID 21721815

7-o-prenylpinocembrin

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CC(=CCOC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O)C

InChI

InChI=1S/C20H20O4/c1-13(2)8-9-23-15-10-16(21)20-17(22)12-18(24-19(20)11-15)14-6-4-3-5-7-14/h3-8,10-11,18,21H,9,12H2,1-2H3

InChIKey

WZSJHPLGMXDPQW-UHFFFAOYSA-N

Compound name

5-hydroxy-7-(3-methylbut-2-enoxy)-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 324.13617 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]+	325.143446	176.1
[M+Na]+	347.125388	182.8
[M-H]-	323.128894	182.7
[M+NH4]+	342.169993	189.2
[M+K]+	363.099328	179.3
[M+H-H2O]+	307.133430	168.0
[M+HCOO]-	369.134371	193.0
[M+CH3COO]-	383.150021	207.8
[M+Na-2H]-	345.110836	178.5
[M]+	324.13562142	177.1
[M]-	324.13671858	177.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.