CID 3068630

3,4-dihydro-n,n-dimethyl-1-(3-fluorophenyl)-3-isoquinolineethanamine hydrochloride (4:5)

Structural Information

Molecular Formula
C19H21FN2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)F
InChI
InChI=1S/C19H21FN2/c1-22(2)11-10-17-13-14-6-3-4-9-18(14)19(21-17)15-7-5-8-16(20)12-15/h3-9,12,17H,10-11,13H2,1-2H3
InChIKey
YAZFMJIJHLAZAX-UHFFFAOYSA-N
Compound name
2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.16888 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17616 170.9
[M+Na]+ 319.15810 177.8
[M-H]- 295.16160 176.6
[M+NH4]+ 314.20270 186.1
[M+K]+ 335.13204 172.7
[M+H-H2O]+ 279.16614 160.3
[M+HCOO]- 341.16708 190.9
[M+CH3COO]- 355.18273 181.6
[M+Na-2H]- 317.14355 175.2
[M]+ 296.16833 170.0
[M]- 296.16943 170.0
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.