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]+ 329.222376 182.4
[M+Na]+ 351.204318 186.0
[M-H]- 327.207824 183.1
[M+NH4]+ 346.248923 193.0
[M+K]+ 367.178258 180.2
[M+H-H2O]+ 311.212360 172.7
[M+HCOO]- 373.213301 193.8
[M+CH3COO]- 387.228951 207.5
[M+Na-2H]- 349.189766 183.2
[M]+ 328.21455142 178.6
[M]- 328.21564858 178.6
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

patents stripe