CID 3048809

2,3-dihydro-alpha-(1-((2-(4-chlorophenoxy)ethyl)amino)ethyl)-1h-indene-5-methanol

Structural Information

Molecular Formula

C₂₀H₂₄ClNO₂

SMILES

CC(C(C1=CC2=C(CCC2)C=C1)O)NCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClNO2/c1-14(22-11-12-24-19-9-7-18(21)8-10-19)20(23)17-6-5-15-3-2-4-16(15)13-17/h5-10,13-14,20,22-23H,2-4,11-12H2,1H3

InChIKey

HUCYCDIEYRVVDD-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenoxy)ethylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 345.14957 Da
Monoisotopic Mass: 4.2
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]+	346.156846	183.3
[M+Na]+	368.138788	188.2
[M-H]-	344.142294	188.7
[M+NH4]+	363.183393	199.0
[M+K]+	384.112728	182.0
[M+H-H2O]+	328.146830	176.4
[M+HCOO]-	390.147771	198.2
[M+CH3COO]-	404.163421	211.8
[M+Na-2H]-	366.124236	183.4
[M]+	345.14902142	184.8
[M]-	345.15011858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe