CID 3068234

3-(3(r)-ethyl-4(r)-piperidyl)-1-(6-methoxy-4-quinolyl)-1(s)-propanol dihydrochloride

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CC[C@H]1CNCC[C@H]1CC[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O
InChI
InChI=1S/C20H28N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h5-6,9,11-12,14-15,20-21,23H,3-4,7-8,10,13H2,1-2H3/t14-,15+,20-/m0/s1
InChIKey
AAUYBNKTUTZDCH-MDOVXXIYSA-N
Compound name
(1S)-3-[(3R,4R)-3-ethylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

328.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 182.9
[M+Na]+ 351.20432 195.0
[M+NH4]+ 346.24892 190.0
[M+K]+ 367.17826 187.4
[M-H]- 327.20782 185.6
[M+Na-2H]- 349.18977 187.6
[M]+ 328.21455 185.3
[M]- 328.21565 185.3
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.