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 175.7
[M+Na]+ 333.15734 180.7
[M-H]- 309.16084 177.9
[M+NH4]+ 328.20194 187.4
[M+K]+ 349.13128 174.7
[M+H-H2O]+ 293.16538 165.9
[M+HCOO]- 355.16632 189.2
[M+CH3COO]- 369.18197 205.4
[M+Na-2H]- 331.14279 177.4
[M]+ 310.16757 171.9
[M]- 310.16867 171.9
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