CID 3068662

3,4-dihydro-n,n-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate

Structural Information

Molecular Formula
C20H23FN2
SMILES
CN(C)CCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C20H23FN2/c1-23(2)13-7-9-16-14-15-8-3-4-10-17(15)20(22-16)18-11-5-6-12-19(18)21/h3-6,8,10-12,16H,7,9,13-14H2,1-2H3
InChIKey
ZDWJGDXSRFHZNX-UHFFFAOYSA-N
Compound name
3-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18454 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19182 175.5
[M+Na]+ 333.17376 182.0
[M-H]- 309.17726 181.0
[M+NH4]+ 328.21836 190.2
[M+K]+ 349.14770 176.6
[M+H-H2O]+ 293.18180 164.7
[M+HCOO]- 355.18274 195.2
[M+CH3COO]- 369.19839 214.8
[M+Na-2H]- 331.15921 179.3
[M]+ 310.18399 174.9
[M]- 310.18509 174.9
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.