CID 165359419

6-hydroxyquinine

Structural Information

Molecular Formula
C20H24N2O3
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C([C@@H]4C=C)O)O
InChI
InChI=1S/C20H24N2O3/c1-3-14-12-7-9-22(20(14)24)18(10-12)19(23)15-6-8-21-17-5-4-13(25-2)11-16(15)17/h3-6,8,11-12,14,18-20,23-24H,1,7,9-10H2,2H3/t12-,14+,18-,19+,20?/m0/s1
InChIKey
ZPMAZSYGOOJJMP-IKKJZNHXSA-N
Compound name
(3R,4S,6S)-3-ethenyl-6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 179.9
[M+Na]+ 363.16790 183.3
[M-H]- 339.17140 175.0
[M+NH4]+ 358.21250 194.4
[M+K]+ 379.14184 178.2
[M+H-H2O]+ 323.17594 171.3
[M+HCOO]- 385.17688 183.0
[M+CH3COO]- 399.19253 185.9
[M+Na-2H]- 361.15335 186.2
[M]+ 340.17813 180.6
[M]- 340.17923 180.6
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.