CID 46934734

Sedinine

Structural Information

Molecular Formula
C17H25NO2
SMILES
C[C@H](C[C@@H]1C=CC[C@H](N1C)C[C@@H](C2=CC=CC=C2)O)O
InChI
InChI=1S/C17H25NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-9,13,15-17,19-20H,10-12H2,1-2H3/t13-,15+,16+,17+/m1/s1
InChIKey
OLFGPECRQXQUAG-IWCQGFGOSA-N
Compound name
(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 168.1
[M+Na]+ 298.177758 171.6
[M-H]- 274.181264 169.7
[M+NH4]+ 293.222363 181.2
[M+K]+ 314.151698 167.7
[M+H-H2O]+ 258.185800 160.1
[M+HCOO]- 320.186741 182.6
[M+CH3COO]- 334.202391 197.4
[M+Na-2H]- 296.163206 167.8
[M]+ 275.18799142 164.5
[M]- 275.18908858 164.5
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

No patent data available for this compound.