CID 67042222

Schembl1459287

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1=CC=C(C=C1)C2=NC=C(C=C2)OC3CN4CCC3CC4
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
InChIKey
NPDLTEZXGWRMLQ-UHFFFAOYSA-N
Compound name
3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

280
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.