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
6
Annotation Hits

601
References

3629
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 184.8
[M+Na]+ 360.19342 197.7
[M+NH4]+ 355.23802 192.3
[M+K]+ 376.16736 189.7
[M-H]- 336.19692 190.1
[M+Na-2H]- 358.17887 192.7
[M]+ 337.20365 188.1
[M]- 337.20475 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe