CID 54689813

Brn 1293885

Structural Information

Molecular Formula

C₂₀H₁₄O₄

SMILES

C1=CC=C2C(=C1)C=CC(=C2CC3=C(C4=CC=CC=C4OC3=O)O)O

InChI

InChI=1S/C20H14O4/c21-17-10-9-12-5-1-2-6-13(12)15(17)11-16-19(22)14-7-3-4-8-18(14)24-20(16)23/h1-10,21-22H,11H2

InChIKey

BDWHSDJYPLQHPL-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)methyl]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.0892 Da
Monoisotopic Mass: 4.1
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]+	319.096476	171.2
[M+Na]+	341.078418	182.6
[M-H]-	317.081924	179.2
[M+NH4]+	336.123023	185.2
[M+K]+	357.052358	177.6
[M+H-H2O]+	301.086460	162.8
[M+HCOO]-	363.087401	191.1
[M+CH3COO]-	377.103051	183.4
[M+Na-2H]-	339.063866	179.3
[M]+	318.08865142	175.1
[M]-	318.08974858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.