CID 3053291

69781-94-8

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CC([C@H]1CN2CC[C@@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O)O
InChI
InChI=1S/C20H26N2O3/c1-12(23)17-11-22-8-6-13(17)9-19(22)20(24)15-5-7-21-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,12-13,17,19-20,23-24H,6,8-9,11H2,1-2H3/t12?,13-,17-,19+,20-/m1/s1
InChIKey
ZECCJJVLKCNRCN-ACKFWONCSA-N
Compound name
1-[(3R,4R,6S)-6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 178.6
[M+Na]+ 365.18356 189.7
[M+NH4]+ 360.22816 187.5
[M+K]+ 381.15750 183.0
[M-H]- 341.18706 177.7
[M+Na-2H]- 363.16901 176.3
[M]+ 342.19379 179.8
[M]- 342.19489 179.8
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

No patent data available for this compound.