CID 55883

Benzyl alcohol, p-chloro-alpha-(2-(alpha-methylphenethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₂ClNO

SMILES

CN(CCC1=CC=CC=C1)CCC(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C18H22ClNO/c1-20(13-11-15-5-3-2-4-6-15)14-12-18(21)16-7-9-17(19)10-8-16/h2-10,18,21H,11-14H2,1H3

InChIKey

WRNSAGBRCPXKTH-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.13898 Da
Monoisotopic Mass: 4.0
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]+	304.146256	172.6
[M+Na]+	326.128198	177.7
[M-H]-	302.131704	178.3
[M+NH4]+	321.172803	187.8
[M+K]+	342.102138	172.4
[M+H-H2O]+	286.136240	165.0
[M+HCOO]-	348.137181	190.3
[M+CH3COO]-	362.152831	207.4
[M+Na-2H]-	324.113646	175.1
[M]+	303.13843142	175.2
[M]-	303.13952858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.