CID 205064

4-(3-((p-chloro-alpha-phenylbenzyl)oxy)propyl)morpholine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₄ClNO₂

SMILES

C1COCCN1CCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClNO2/c21-19-9-7-18(8-10-19)20(17-5-2-1-3-6-17)24-14-4-11-22-12-15-23-16-13-22/h1-3,5-10,20H,4,11-16H2

InChIKey

YTBYOZGVKRTJCB-UHFFFAOYSA-N

Compound name

4-[3-[(4-chlorophenyl)-phenylmethoxy]propyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.14957 Da
Monoisotopic Mass: 3.9
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	183.0
[M+Na]+	368.138788	186.5
[M-H]-	344.142294	189.8
[M+NH4]+	363.183393	193.2
[M+K]+	384.112728	181.9
[M+H-H2O]+	328.146830	172.8
[M+HCOO]-	390.147771	194.7
[M+CH3COO]-	404.163421	191.6
[M+Na-2H]-	366.124236	185.3
[M]+	345.14902142	183.0
[M]-	345.15011858	183.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.