CID 493168

2-naphthalenecarboxaldehyde, 6-hydroxy-4-[4-hydroxy-3-(hydroxymethyl)phenyl]-3-(hydroxymethyl)-7-methoxy-

Structural Information

Molecular Formula

C₂₀H₁₈O₆

SMILES

COC1=CC2=CC(=C(C(=C2C=C1O)C3=CC(=C(C=C3)O)CO)CO)C=O

InChI

InChI=1S/C20H18O6/c1-26-19-6-12-5-13(8-21)16(10-23)20(15(12)7-18(19)25)11-2-3-17(24)14(4-11)9-22/h2-8,22-25H,9-10H2,1H3

InChIKey

FZYCOAXQQXHULR-UHFFFAOYSA-N

Compound name

6-hydroxy-4-[4-hydroxy-3-(hydroxymethyl)phenyl]-3-(hydroxymethyl)-7-methoxynaphthalene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.11035 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]+	355.117626	180.9
[M+Na]+	377.099568	190.1
[M-H]-	353.103074	184.5
[M+NH4]+	372.144173	192.7
[M+K]+	393.073508	185.0
[M+H-H2O]+	337.107610	173.3
[M+HCOO]-	399.108551	197.9
[M+CH3COO]-	413.124201	209.3
[M+Na-2H]-	375.085016	182.5
[M]+	354.10980142	184.2
[M]-	354.11089858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.