CID 3068230

4-quinolinemethanol, alpha-(2-(3-ethenyl-4-piperidinyl)ethyl)-6-methoxy-, dihydrochloride, (3r-(3-alpha,4-alpha(r*)))-

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H](CC[C@@H]3CCNC[C@@H]3C=C)O
InChI
InChI=1S/C20H26N2O2/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/h3,5-6,9,11-12,14-15,20-21,23H,1,4,7-8,10,13H2,2H3/t14-,15+,20+/m0/s1
InChIKey
NHVCPGIQKWXLDK-BXTJHSDWSA-N
Compound name
(1R)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

326.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 181.4
[M+Na]+ 349.18865 185.3
[M-H]- 325.19215 182.0
[M+NH4]+ 344.23325 191.9
[M+K]+ 365.16259 178.8
[M+H-H2O]+ 309.19669 171.7
[M+HCOO]- 371.19763 192.9
[M+CH3COO]- 385.21328 206.8
[M+Na-2H]- 347.17410 182.1
[M]+ 326.19888 176.8
[M]- 326.19998 176.8
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

patents stripe