CID 101744

Cinchonidine

Structural Information

Molecular Formula
C19H22N2O
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O
InChI
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
InChIKey
KMPWYEUPVWOPIM-KODHJQJWSA-N
Compound name
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

302
References

16887
Patents

294.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 168.1
[M+Na]+ 317.16244 181.0
[M+NH4]+ 312.20704 178.5
[M+K]+ 333.13638 172.0
[M-H]- 293.16594 168.5
[M+Na-2H]- 315.14789 167.8
[M]+ 294.17267 170.1
[M]- 294.17377 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe