CID 25201712

Cinchoninone

Structural Information

Molecular Formula
C19H20N2O
SMILES
C=C[C@H]1CN2CCC1C[C@@H]2C(=O)C3=CC=NC4=CC=CC=C34
InChI
InChI=1S/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14?,18+/m0/s1
InChIKey
AEFOLTVWSRMXMW-IXRXBBNISA-N
Compound name
[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

292.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 167.0
[M+Na]+ 315.14678 180.5
[M+NH4]+ 310.19138 177.5
[M+K]+ 331.12072 171.2
[M-H]- 291.15028 167.7
[M+Na-2H]- 313.13223 167.3
[M]+ 292.15701 169.2
[M]- 292.15811 169.2
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

patents stripe