CID 206918

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

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C)C)C)C
InChI
InChI=1S/C21H34N2O2/c1-7-23(8-2)16-20(5)15-22(6)17(3)14-21(20,25-18(4)24)19-12-10-9-11-13-19/h9-13,17H,7-8,14-16H2,1-6H3
InChIKey
OQGIYXHWIHTELO-UHFFFAOYSA-N
Compound name
[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.26202 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.269296 184.8
[M+Na]+ 369.251238 189.3
[M-H]- 345.254744 190.5
[M+NH4]+ 364.295843 201.2
[M+K]+ 385.225178 187.6
[M+H-H2O]+ 329.259280 176.8
[M+HCOO]- 391.260221 202.4
[M+CH3COO]- 405.275871 221.0
[M+Na-2H]- 367.236686 185.3
[M]+ 346.26147142 186.5
[M]- 346.26256858 186.5
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.