CID 3039913

D-2,5-dimethyl-1-(2-(dimethylamino)ethyl)-4-piperidinol 3,4,5-trimethoxybenzoate ditartrate

Structural Information

Molecular Formula
C21H34N2O5
SMILES
CC1CC(C(CN1CCN(C)C)C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H34N2O5/c1-14-13-23(9-8-22(3)4)15(2)10-17(14)28-21(24)16-11-18(25-5)20(27-7)19(12-16)26-6/h11-12,14-15,17H,8-10,13H2,1-7H3
InChIKey
RRMYKVWBTPIPOC-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethyl]-2,5-dimethylpiperidin-4-yl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.24677 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25405 196.2
[M+Na]+ 417.23599 200.9
[M-H]- 393.23949 202.3
[M+NH4]+ 412.28059 207.0
[M+K]+ 433.20993 200.6
[M+H-H2O]+ 377.24403 186.8
[M+HCOO]- 439.24497 214.2
[M+CH3COO]- 453.26062 232.1
[M+Na-2H]- 415.22144 192.5
[M]+ 394.24622 202.7
[M]- 394.24732 202.7
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.