CID 50914822

669770-29-0

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1=CC=C(C=C1)C2=NC=C(C=C2)O[C@H]3CN4CCC3CC4
InChI
InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1
InChIKey
NPDLTEZXGWRMLQ-IBGZPJMESA-N
Compound name
(3R)-3-[6-(4-methylphenyl)pyridin-3-yl]oxy-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

301
Patents

294.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 166.7
[M+Na]+ 317.16244 170.4
[M-H]- 293.16594 166.5
[M+NH4]+ 312.20704 183.1
[M+K]+ 333.13638 165.4
[M+H-H2O]+ 277.17048 156.4
[M+HCOO]- 339.17142 175.8
[M+CH3COO]- 353.18707 174.8
[M+Na-2H]- 315.14789 175.9
[M]+ 294.17267 166.9
[M]- 294.17377 166.9
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