CID 92

6'-methoxycinchonan-3,9-diol

Structural Information

Molecular Formula
C20H24N2O3
SMILES
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4(C=C)O)O
InChI
InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3
InChIKey
BSRUJCFCZKMFMB-UHFFFAOYSA-N
Compound name
3-ethenyl-6-[hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

80
References

92
Patents

340.17868 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 180.6
[M+Na]+ 363.167898 184.3
[M-H]- 339.171404 175.6
[M+NH4]+ 358.212503 196.8
[M+K]+ 379.141838 179.1
[M+H-H2O]+ 323.175940 171.3
[M+HCOO]- 385.176881 183.6
[M+CH3COO]- 399.192531 186.6
[M+Na-2H]- 361.153346 188.3
[M]+ 340.17813142 181.2
[M]- 340.17922858 181.2
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