CID 3068694

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

Structural Information

Molecular Formula
C20H21F3N2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C20H21F3N2/c1-25(2)12-11-15-13-14-7-3-4-8-16(14)19(24-15)17-9-5-6-10-18(17)20(21,22)23/h3-10,15H,11-13H2,1-2H3
InChIKey
PLWSGCIQKBJPAN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16568 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17296 183.0
[M+Na]+ 369.15490 190.0
[M-H]- 345.15840 186.0
[M+NH4]+ 364.19950 196.2
[M+K]+ 385.12884 184.2
[M+H-H2O]+ 329.16294 170.7
[M+HCOO]- 391.16388 198.8
[M+CH3COO]- 405.17953 220.0
[M+Na-2H]- 367.14035 186.1
[M]+ 346.16513 179.6
[M]- 346.16623 179.6
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.