CID 202809

(+)-n-(o-chlorobenzyl)-n,alpha-dimethylphenethylamine hydrochloride

Structural Information

Molecular Formula
C17H20ClN
SMILES
CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2Cl
InChI
InChI=1S/C17H20ClN/c1-14(12-15-8-4-3-5-9-15)19(2)13-16-10-6-7-11-17(16)18/h3-11,14H,12-13H2,1-2H3
InChIKey
SGPCAYLWQLPDHJ-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-N-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12842 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13570 164.7
[M+Na]+ 296.11764 170.8
[M-H]- 272.12114 172.0
[M+NH4]+ 291.16224 181.9
[M+K]+ 312.09158 166.0
[M+H-H2O]+ 256.12568 157.2
[M+HCOO]- 318.12662 184.0
[M+CH3COO]- 332.14227 205.0
[M+Na-2H]- 294.10309 168.2
[M]+ 273.12787 167.4
[M]- 273.12897 167.4
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.