CID 3050458

4-piperidone, 1-equatorial-benzyl-3-axial-hydroxy-3-equatorial-methyl-6-equatorial-phenyl-, hydrochloride

Structural Information

Molecular Formula
C19H21NO2
SMILES
C[C@@]1(CN([C@@H](CC1=O)C2=CC=CC=C2)CC3=CC=CC=C3)O
InChI
InChI=1S/C19H21NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3/t17-,19-/m0/s1
InChIKey
ZVLISYHAVDSVIF-HKUYNNGSSA-N
Compound name
(2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 171.2
[M+Na]+ 318.14645 177.5
[M-H]- 294.14995 177.9
[M+NH4]+ 313.19105 186.0
[M+K]+ 334.12039 172.2
[M+H-H2O]+ 278.15449 161.9
[M+HCOO]- 340.15543 188.7
[M+CH3COO]- 354.17108 181.4
[M+Na-2H]- 316.13190 174.4
[M]+ 295.15668 167.3
[M]- 295.15778 167.3
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.