CID 206910

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

Structural Information

Molecular Formula
C22H36N2O2
SMILES
CCC(=O)OC1(CC(N(CC1(C)CN(CC)CC)C)C)C2=CC=CC=C2
InChI
InChI=1S/C22H36N2O2/c1-7-20(25)26-22(19-13-11-10-12-14-19)15-18(4)23(6)16-21(22,5)17-24(8-2)9-3/h10-14,18H,7-9,15-17H2,1-6H3
InChIKey
HSMVVQFLLDCATO-UHFFFAOYSA-N
Compound name
[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.27768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28496 190.6
[M+Na]+ 383.26690 200.9
[M+NH4]+ 378.31150 200.0
[M+K]+ 399.24084 190.3
[M-H]- 359.27040 194.2
[M+Na-2H]- 381.25235 198.3
[M]+ 360.27713 193.3
[M]- 360.27823 193.3
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.