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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14626 173.1
[M+Na]+ 326.12820 187.0
[M+NH4]+ 321.17280 182.0
[M+K]+ 342.10214 178.0
[M-H]- 302.13170 178.5
[M+Na-2H]- 324.11365 182.1
[M]+ 303.13843 177.0
[M]- 303.13953 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.