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 180.4
[M+Na]+ 355.23559 185.3
[M-H]- 331.23909 186.3
[M+NH4]+ 350.28019 197.4
[M+K]+ 371.20953 183.9
[M+H-H2O]+ 315.24363 172.6
[M+HCOO]- 377.24457 198.3
[M+CH3COO]- 391.26022 218.0
[M+Na-2H]- 353.22104 181.4
[M]+ 332.24582 181.8
[M]- 332.24692 181.8
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.