CID 3039917

D-1-(2-(diethylamino)ethyl)-2,5-dimethyl-4-piperidinol benzoate ditartrate

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CCN(CC)CCN1CC(C(CC1C)OC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C20H32N2O2/c1-5-21(6-2)12-13-22-15-16(3)19(14-17(22)4)24-20(23)18-10-8-7-9-11-18/h7-11,16-17,19H,5-6,12-15H2,1-4H3
InChIKey
TYCLMBOLPLKNQT-UHFFFAOYSA-N
Compound name
[1-[2-(diethylamino)ethyl]-2,5-dimethylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25365 184.7
[M+Na]+ 355.23559 187.6
[M-H]- 331.23909 189.9
[M+NH4]+ 350.28019 197.5
[M+K]+ 371.20953 185.2
[M+H-H2O]+ 315.24363 175.2
[M+HCOO]- 377.24457 202.5
[M+CH3COO]- 391.26022 218.9
[M+Na-2H]- 353.22104 183.0
[M]+ 332.24582 185.3
[M]- 332.24692 185.3
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.