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 172.6
[M+Na]+ 326.12820 177.7
[M-H]- 302.13170 178.3
[M+NH4]+ 321.17280 187.8
[M+K]+ 342.10214 172.4
[M+H-H2O]+ 286.13624 165.0
[M+HCOO]- 348.13718 190.3
[M+CH3COO]- 362.15283 207.4
[M+Na-2H]- 324.11365 175.1
[M]+ 303.13843 175.2
[M]- 303.13953 175.2
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.