CID 4374049

3594-94-3

Structural Information

Molecular Formula

C₂₂H₁₈O₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)CO)CO

InChI

InChI=1S/C22H18O2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12,23-24H,13-14H2

InChIKey

MBKVMGGUKWIVDS-UHFFFAOYSA-N

Compound name

[1-[2-(hydroxymethyl)naphthalen-1-yl]naphthalen-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 314.13068 Da
Monoisotopic Mass: 4.3
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]+	315.137956	173.6
[M+Na]+	337.119898	183.0
[M-H]-	313.123404	180.0
[M+NH4]+	332.164503	188.9
[M+K]+	353.093838	175.5
[M+H-H2O]+	297.127940	165.1
[M+HCOO]-	359.128881	193.2
[M+CH3COO]-	373.144531	184.7
[M+Na-2H]-	335.105346	180.6
[M]+	314.13013142	174.8
[M]-	314.13122858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe