CID 12967116

(s)-[(2s,4s,5r)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine

Structural Information

Molecular Formula
C20H27N3O
SMILES
CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)N
InChI
InChI=1S/C20H27N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20H,3,7,9-10,12,21H2,1-2H3/t13-,14+,19-,20-/m1/s1
InChIKey
HGVZOZLENNRYCV-RYMBOPBQSA-N
Compound name
(R)-[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

325.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 176.4
[M+Na]+ 348.20464 188.3
[M+NH4]+ 343.24924 186.5
[M+K]+ 364.17858 179.7
[M-H]- 324.20814 177.6
[M+Na-2H]- 346.19009 175.5
[M]+ 325.21487 178.4
[M]- 325.21597 178.4
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

No patent data available for this compound.