CID 3064350

4-piperidinol, 1-(1-phenyl-1-cyclohexyl)-, 3,4-dimethoxybenzoate, hydrochloride

Structural Information

Molecular Formula
C26H33NO4
SMILES
COC1=C(C=C(C=C1)C(=O)OC2CCN(CC2)C3(CCCCC3)C4=CC=CC=C4)OC
InChI
InChI=1S/C26H33NO4/c1-29-23-12-11-20(19-24(23)30-2)25(28)31-22-13-17-27(18-14-22)26(15-7-4-8-16-26)21-9-5-3-6-10-21/h3,5-6,9-12,19,22H,4,7-8,13-18H2,1-2H3
InChIKey
MVLXWNPCBKGVKN-UHFFFAOYSA-N
Compound name
[1-(1-phenylcyclohexyl)piperidin-4-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.24097 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.24825 206.6
[M+Na]+ 446.23019 219.1
[M+NH4]+ 441.27479 215.1
[M+K]+ 462.20413 208.9
[M-H]- 422.23369 213.7
[M+Na-2H]- 444.21564 216.1
[M]+ 423.24042 210.5
[M]- 423.24152 210.5
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.