CID 10522388

10,11-dihydroxydihydroquinine

Structural Information

Molecular Formula
C20H26N2O4
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4[C@H](CO)O)O
InChI
InChI=1S/C20H26N2O4/c1-26-13-2-3-17-15(9-13)14(4-6-21-17)20(25)18-8-12-5-7-22(18)10-16(12)19(24)11-23/h2-4,6,9,12,16,18-20,23-25H,5,7-8,10-11H2,1H3/t12-,16-,18-,19-,20+/m0/s1
InChIKey
RPKYUNIXMGUACR-SDVLLTEKSA-N
Compound name
(1R)-1-[(3R,4S,6S)-6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

358.18927 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 181.1
[M+Na]+ 381.17849 191.2
[M+NH4]+ 376.22309 189.1
[M+K]+ 397.15243 185.3
[M-H]- 357.18199 179.2
[M+Na-2H]- 379.16394 177.8
[M]+ 358.18872 181.8
[M]- 358.18982 181.8
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

No patent data available for this compound.