CID 201385

Phenol, 4,4'-indole-2,3-diyldi-

Structural Information

Molecular Formula

C₂₀H₁₅NO₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H15NO2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)21-20(19)14-7-11-16(23)12-8-14/h1-12,21-23H

InChIKey

MGOARPQWMKCCSF-UHFFFAOYSA-N

Compound name

4-[2-(4-hydroxyphenyl)-1H-indol-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 301.1103 Da
Monoisotopic Mass: 4.6
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]+	302.117576	168.8
[M+Na]+	324.099518	178.7
[M-H]-	300.103024	175.6
[M+NH4]+	319.144123	183.3
[M+K]+	340.073458	170.7
[M+H-H2O]+	284.107560	160.8
[M+HCOO]-	346.108501	189.0
[M+CH3COO]-	360.124151	180.2
[M+Na-2H]-	322.084966	173.2
[M]+	301.10975142	167.9
[M]-	301.11084858	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe