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 182.4
[M+Na]+ 351.20432 186.0
[M-H]- 327.20782 183.1
[M+NH4]+ 346.24892 193.0
[M+K]+ 367.17826 180.2
[M+H-H2O]+ 311.21236 172.7
[M+HCOO]- 373.21330 193.8
[M+CH3COO]- 387.22895 207.5
[M+Na-2H]- 349.18977 183.2
[M]+ 328.21455 178.6
[M]- 328.21565 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