CID 3024714

1,2,3,4-tetrahydro-1-(4-fluorophenyl)-2-phenyl-6-isoquinolinol hydrochloride

Structural Information

Molecular Formula
C21H18FNO
SMILES
C1CN(C(C2=C1C=C(C=C2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C21H18FNO/c22-17-8-6-15(7-9-17)21-20-11-10-19(24)14-16(20)12-13-23(21)18-4-2-1-3-5-18/h1-11,14,21,24H,12-13H2
InChIKey
AGADFQNWGUDFRP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.13724 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14452 175.9
[M+Na]+ 342.12646 183.3
[M-H]- 318.12996 182.1
[M+NH4]+ 337.17106 188.6
[M+K]+ 358.10040 175.7
[M+H-H2O]+ 302.13450 164.7
[M+HCOO]- 364.13544 192.1
[M+CH3COO]- 378.15109 185.5
[M+Na-2H]- 340.11191 179.5
[M]+ 319.13669 170.9
[M]- 319.13779 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.