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]+ 327.206706 181.4
[M+Na]+ 349.188648 185.3
[M-H]- 325.192154 182.0
[M+NH4]+ 344.233253 191.9
[M+K]+ 365.162588 178.8
[M+H-H2O]+ 309.196690 171.7
[M+HCOO]- 371.197631 192.9
[M+CH3COO]- 385.213281 206.8
[M+Na-2H]- 347.174096 182.1
[M]+ 326.19888142 176.8
[M]- 326.19997858 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