CID 44133419

769172-81-8

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
COC1=C(C=C2[C@@H](NCCC2=C1)CCC3=CC=C(C=C3)C(F)(F)F)OC
InChI
InChI=1S/C20H22F3NO2/c1-25-18-11-14-9-10-24-17(16(14)12-19(18)26-2)8-5-13-3-6-15(7-4-13)20(21,22)23/h3-4,6-7,11-12,17,24H,5,8-10H2,1-2H3/t17-/m0/s1
InChIKey
YDSAXZXFUOAJSV-KRWDZBQOSA-N
Compound name
(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

365.16028 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 187.7
[M+Na]+ 388.14950 194.7
[M-H]- 364.15300 188.0
[M+NH4]+ 383.19410 199.3
[M+K]+ 404.12344 188.4
[M+H-H2O]+ 348.15754 176.2
[M+HCOO]- 410.15848 199.4
[M+CH3COO]- 424.17413 215.0
[M+Na-2H]- 386.13495 189.1
[M]+ 365.15973 183.8
[M]- 365.16083 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.