CID 54688886

Hydroxycoumarin deriv. 17

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

COC1=CC=C(C=C1)CCCCC2=C(C3=CC=CC=C3OC2=O)O

InChI

InChI=1S/C20H20O4/c1-23-15-12-10-14(11-13-15)6-2-3-8-17-19(21)16-7-4-5-9-18(16)24-20(17)22/h4-5,7,9-13,21H,2-3,6,8H2,1H3

InChIKey

YCGODPLRLBRRLD-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[4-(4-methoxyphenyl)butyl]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
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	175.7
[M+Na]+	347.125388	184.4
[M-H]-	323.128894	183.0
[M+NH4]+	342.169993	189.1
[M+K]+	363.099328	180.7
[M+H-H2O]+	307.133430	167.2
[M+HCOO]-	369.134371	196.3
[M+CH3COO]-	383.150021	207.6
[M+Na-2H]-	345.110836	181.1
[M]+	324.13562142	180.9
[M]-	324.13671858	180.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.