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
3
Annotation Hits

0
References

33
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 165.8
[M+Na]+ 315.14678 169.3
[M-H]- 291.15028 163.0
[M+NH4]+ 310.19138 183.0
[M+K]+ 331.12072 163.5
[M+H-H2O]+ 275.15482 156.1
[M+HCOO]- 337.15576 172.2
[M+CH3COO]- 351.17141 173.2
[M+Na-2H]- 313.13223 174.2
[M]+ 292.15701 165.0
[M]- 292.15811 165.0
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