CID 3068656

3,4-dihydro-1-(2-bromophenyl)-n,n-dimethyl-3-isoquinolineethanamine dihydrochloride

Structural Information

Molecular Formula
C19H21BrN2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Br
InChI
InChI=1S/C19H21BrN2/c1-22(2)12-11-15-13-14-7-3-4-8-16(14)19(21-15)17-9-5-6-10-18(17)20/h3-10,15H,11-13H2,1-2H3
InChIKey
IPILEUOYGYHZIA-UHFFFAOYSA-N
Compound name
2-[1-(2-bromophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0888 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09608 179.0
[M+Na]+ 379.07802 188.2
[M-H]- 355.08152 188.1
[M+NH4]+ 374.12262 195.6
[M+K]+ 395.05196 175.9
[M+H-H2O]+ 339.08606 176.0
[M+HCOO]- 401.08700 197.5
[M+CH3COO]- 415.10265 191.2
[M+Na-2H]- 377.06347 184.5
[M]+ 356.08825 197.6
[M]- 356.08935 197.6
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.