CID 206906

5-dimethylaminomethyl-4-phenyl-1,2,5-trimethyl-4-piperidinol, propionate, dihydrochloride

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CCC(=O)OC1(CC(N(CC1(C)CN(C)C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C20H32N2O2/c1-7-18(23)24-20(17-11-9-8-10-12-17)13-16(2)22(6)15-19(20,3)14-21(4)5/h8-12,16H,7,13-15H2,1-6H3
InChIKey
XMOSNRHQBSPFNC-UHFFFAOYSA-N
Compound name
[5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25365 182.0
[M+Na]+ 355.23559 192.7
[M+NH4]+ 350.28019 191.7
[M+K]+ 371.20953 182.5
[M-H]- 331.23909 185.6
[M+Na-2H]- 353.22104 190.2
[M]+ 332.24582 184.8
[M]- 332.24692 184.8
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.