CID 3068696

83658-81-5

Structural Information

Molecular Formula
C20H21F3N2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C20H21F3N2/c1-25(2)11-10-17-13-14-6-3-4-9-18(14)19(24-17)15-7-5-8-16(12-15)20(21,22)23/h3-9,12,17H,10-11,13H2,1-2H3
InChIKey
PWMLRQRJKIOZAP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-[3-(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 182.0
[M+Na]+ 369.15490 193.2
[M+NH4]+ 364.19950 188.4
[M+K]+ 385.12884 185.3
[M-H]- 345.15840 182.9
[M+Na-2H]- 367.14035 188.2
[M]+ 346.16513 183.8
[M]- 346.16623 183.8
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.