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

8
Patents

310.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 175.7
[M+Na]+ 333.157338 180.7
[M-H]- 309.160844 177.9
[M+NH4]+ 328.201943 187.4
[M+K]+ 349.131278 174.7
[M+H-H2O]+ 293.165380 165.9
[M+HCOO]- 355.166321 189.2
[M+CH3COO]- 369.181971 205.4
[M+Na-2H]- 331.142786 177.4
[M]+ 310.16757142 171.9
[M]- 310.16866858 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