CID 3068626

3,4-dihydro-1-(2-fluorophenyl)-n-methyl-3-isoquinolineethanamine ethanedioate (1:1)

Structural Information

Molecular Formula
C18H19FN2
SMILES
CNCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C18H19FN2/c1-20-11-10-14-12-13-6-2-3-7-15(13)18(21-14)16-8-4-5-9-17(16)19/h2-9,14,20H,10-12H2,1H3
InChIKey
ZBFRSMSEHMMUCP-UHFFFAOYSA-N
Compound name
2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15323 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16051 165.8
[M+Na]+ 305.14245 173.1
[M-H]- 281.14595 170.3
[M+NH4]+ 300.18705 181.1
[M+K]+ 321.11639 166.8
[M+H-H2O]+ 265.15049 155.7
[M+HCOO]- 327.15143 185.8
[M+CH3COO]- 341.16708 176.5
[M+Na-2H]- 303.12790 171.5
[M]+ 282.15268 163.4
[M]- 282.15378 163.4
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.