CID 203626

(+)-n-(p-bromobenzyl)-n,alpha-dimethylphenethylamine hydrochloride

Structural Information

Molecular Formula
C17H20BrN
SMILES
CC(CC1=CC=CC=C1)N(C)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H20BrN/c1-14(12-15-6-4-3-5-7-15)19(2)13-16-8-10-17(18)11-9-16/h3-11,14H,12-13H2,1-2H3
InChIKey
OGSJSGJAFRAYCC-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0779 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08518 169.8
[M+Na]+ 340.06712 177.8
[M-H]- 316.07062 179.3
[M+NH4]+ 335.11172 187.9
[M+K]+ 356.04106 166.5
[M+H-H2O]+ 300.07516 167.7
[M+HCOO]- 362.07610 190.9
[M+CH3COO]- 376.09175 209.9
[M+Na-2H]- 338.05257 174.5
[M]+ 317.07735 188.6
[M]- 317.07845 188.6
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.