CID 101616

Lobeline

Structural Information

Molecular Formula
C22H27NO2
SMILES
CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
InChIKey
MXYUKLILVYORSK-HBMCJLEFSA-N
Compound name
2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

602
References

4115
Patents

337.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 183.7
[M+Na]+ 360.19342 185.8
[M-H]- 336.19692 189.0
[M+NH4]+ 355.23802 194.0
[M+K]+ 376.16736 180.6
[M+H-H2O]+ 320.20146 173.6
[M+HCOO]- 382.20240 198.0
[M+CH3COO]- 396.21805 210.3
[M+Na-2H]- 358.17887 182.7
[M]+ 337.20365 178.8
[M]- 337.20475 178.8
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

No patent data available for this compound.