CID 50499

3-chloro-4-(diethylaminomethyl)-2-phenyl-5-benzofuranol hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₀ClNO₂

SMILES

CCN(CC)CC1=C(C=CC2=C1C(=C(O2)C3=CC=CC=C3)Cl)O

InChI

InChI=1S/C19H20ClNO2/c1-3-21(4-2)12-14-15(22)10-11-16-17(14)18(20)19(23-16)13-8-6-5-7-9-13/h5-11,22H,3-4,12H2,1-2H3

InChIKey

RFQQTRPBLNKEDT-UHFFFAOYSA-N

Compound name

3-chloro-4-(diethylaminomethyl)-2-phenyl-1-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.11826 Da
Monoisotopic Mass: 4.8
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]+	330.125536	179.0
[M+Na]+	352.107478	189.0
[M-H]-	328.110984	188.0
[M+NH4]+	347.152083	195.7
[M+K]+	368.081418	184.1
[M+H-H2O]+	312.115520	172.2
[M+HCOO]-	374.116461	198.4
[M+CH3COO]-	388.132111	212.3
[M+Na-2H]-	350.092926	182.1
[M]+	329.11771142	186.8
[M]-	329.11880858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.