CID 67427052

Schembl2490410

Structural Information

Molecular Formula

C₂₂H₂₂O₃

SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCO

InChI

InChI=1S/C22H22O3/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3

InChIKey

JOXFVFZKGOUGOT-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 334.1569 Da
Monoisotopic Mass: 4.0
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]+	335.164176	181.0
[M+Na]+	357.146118	185.9
[M-H]-	333.149624	188.6
[M+NH4]+	352.190723	193.0
[M+K]+	373.120058	181.1
[M+H-H2O]+	317.154160	171.6
[M+HCOO]-	379.155101	201.3
[M+CH3COO]-	393.170751	207.1
[M+Na-2H]-	355.131566	186.7
[M]+	334.15635142	182.2
[M]-	334.15744858	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe