CID 71491790

16985-05-0

Structural Information

Molecular Formula

C₁₈H₁₅NO₂

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=CC=N3)O

InChI

InChI=1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,18,20-21H

InChIKey

IUAQDGAFHHTBPU-UHFFFAOYSA-N

Compound name

2-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 277.1103 Da
Monoisotopic Mass: 3.6
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]+	278.117576	163.7
[M+Na]+	300.099518	170.4
[M-H]-	276.103024	169.5
[M+NH4]+	295.144123	176.3
[M+K]+	316.073458	164.6
[M+H-H2O]+	260.107560	154.6
[M+HCOO]-	322.108501	183.1
[M+CH3COO]-	336.124151	174.3
[M+Na-2H]-	298.084966	168.7
[M]+	277.10975142	161.2
[M]-	277.11084858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe