CID 14589189

Quinidine n-oxide

Structural Information

Molecular Formula
C20H24N2O3
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CC[N+]3(C[C@@H]4C=C)[O-])O
InChI
InChI=1S/C20H24N2O3/c1-3-13-12-22(24)9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(25-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-,22?/m0/s1
InChIKey
WVDIZKMXQMCCAA-IKJOXUIJSA-N
Compound name
(S)-[(2R,4S,5R)-5-ethenyl-1-oxido-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

10
Patents

340.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 178.1
[M+Na]+ 363.16790 191.6
[M+NH4]+ 358.21250 189.2
[M+K]+ 379.14184 183.3
[M-H]- 339.17140 178.7
[M+Na-2H]- 361.15335 177.8
[M]+ 340.17813 180.3
[M]- 340.17923 180.3
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