CID 54682146

24579-14-4

Structural Information

Molecular Formula

C₁₉H₁₆O₅

SMILES

CC(=O)CC(C1=CC=C(C=C1)O)C2=C(C3=CC=CC=C3OC2=O)O

InChI

InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3

InChIKey

RRZWAMPDGRWRPF-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 4
Patents: 324.09976 Da
Monoisotopic Mass: 2.3
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]+	325.10704	172.8
[M+Na]+	347.08898	180.9
[M-H]-	323.09248	179.1
[M+NH4]+	342.13358	185.1
[M+K]+	363.06292	177.9
[M+H-H2O]+	307.09702	165.0
[M+HCOO]-	369.09796	190.5
[M+CH3COO]-	383.11361	205.8
[M+Na-2H]-	345.07443	176.1
[M]+	324.09921	175.4
[M]-	324.10031	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe