CID 97475

33230-77-2

Structural Information

Molecular Formula

C₂₂H₁₈O₂

SMILES

COC1=C(C2=CC=CC=C2C=C1)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C22H18O2/c1-24-22-13-11-16-7-3-5-9-18(16)20(22)14-19-17-8-4-2-6-15(17)10-12-21(19)23/h2-13,23H,14H2,1H3

InChIKey

ULSKQMQZZCFDEQ-UHFFFAOYSA-N

Compound name

1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 314.13068 Da
Monoisotopic Mass: 6.0
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	174.0
[M+Na]+	337.119898	183.7
[M-H]-	313.123404	181.7
[M+NH4]+	332.164503	189.9
[M+K]+	353.093838	177.1
[M+H-H2O]+	297.127940	165.1
[M+HCOO]-	359.128881	195.1
[M+CH3COO]-	373.144531	185.7
[M+Na-2H]-	335.105346	181.3
[M]+	314.13013142	176.8
[M]-	314.13122858	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe