CID 3062065

Ethanone, 2-(3-ethenyl-4-piperidinyl)-1-(6-methoxy-4-quinolinyl)-, dihydrochloride, (3r-cis)-

Structural Information

Molecular Formula
C19H22N2O2
SMILES
COC1=CC2=C(C=CN=C2C=C1)C(=O)C[C@@H]3CCNC[C@@H]3C=C
InChI
InChI=1S/C19H22N2O2/c1-3-13-12-20-8-6-14(13)10-19(22)16-7-9-21-18-5-4-15(23-2)11-17(16)18/h3-5,7,9,11,13-14,20H,1,6,8,10,12H2,2H3/t13-,14-/m0/s1
InChIKey
OSTLGAFINAKPRM-KBPBESRZSA-N
Compound name
2-[(3R,4S)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

310.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 176.0
[M+Na]+ 333.15734 189.0
[M+NH4]+ 328.20194 183.1
[M+K]+ 349.13128 181.2
[M-H]- 309.16084 178.8
[M+Na-2H]- 331.14279 181.5
[M]+ 310.16757 178.5
[M]- 310.16867 178.5
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