CID 3039929

D-1-(3-(diethylamino)propyl)-2,5-dimethyl-4-piperidinol benzoate ditartrate hydrate

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCN(CC)CCCN1CC(C(CC1C)OC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C21H34N2O2/c1-5-22(6-2)13-10-14-23-16-17(3)20(15-18(23)4)25-21(24)19-11-8-7-9-12-19/h7-9,11-12,17-18,20H,5-6,10,13-16H2,1-4H3
InChIKey
KZMSADUXMTUCSU-UHFFFAOYSA-N
Compound name
[1-[3-(diethylamino)propyl]-2,5-dimethylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.26202 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 189.2
[M+Na]+ 369.25124 191.7
[M-H]- 345.25474 194.2
[M+NH4]+ 364.29584 201.4
[M+K]+ 385.22518 189.0
[M+H-H2O]+ 329.25928 179.5
[M+HCOO]- 391.26022 206.7
[M+CH3COO]- 405.27587 221.8
[M+Na-2H]- 367.23669 187.0
[M]+ 346.26147 190.1
[M]- 346.26257 190.1
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.