CID 3078239

(+-)-trans-2-hydroxy-3-(4-phenylpiperidino)-trans-decalin hydrochloride

Structural Information

Molecular Formula
C21H31NO
SMILES
C1CCC2CC(C(CC2C1)N3CCC(CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2
InChIKey
KBAUXYUOKBLCFC-UHFFFAOYSA-N
Compound name
3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

313.24057 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.24785 179.0
[M+Na]+ 336.22979 179.1
[M-H]- 312.23329 183.7
[M+NH4]+ 331.27439 191.2
[M+K]+ 352.20373 173.2
[M+H-H2O]+ 296.23783 168.5
[M+HCOO]- 358.23877 187.6
[M+CH3COO]- 372.25442 185.5
[M+Na-2H]- 334.21524 177.7
[M]+ 313.24002 165.9
[M]- 313.24112 165.9
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