CID 3041649

4-piperidinol, 2,5-dimethyl-1-(3-(4-morpholinyl)propyl)-4-phenyl-, propanoate ditartrate

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCC(=O)OC1(CC(N(CC1C)CCCN2CCOCC2)C)C3=CC=CC=C3
InChI
InChI=1S/C23H36N2O3/c1-4-22(26)28-23(21-9-6-5-7-10-21)17-20(3)25(18-19(23)2)12-8-11-24-13-15-27-16-14-24/h5-7,9-10,19-20H,4,8,11-18H2,1-3H3
InChIKey
SGXVJMGJRRWBFM-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-1-(3-morpholin-4-ylpropyl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 199.9
[M+Na]+ 411.26180 201.3
[M-H]- 387.26530 205.0
[M+NH4]+ 406.30640 208.4
[M+K]+ 427.23574 198.7
[M+H-H2O]+ 371.26984 188.5
[M+HCOO]- 433.27078 210.0
[M+CH3COO]- 447.28643 220.9
[M+Na-2H]- 409.24725 198.0
[M]+ 388.27203 196.7
[M]- 388.27313 196.7
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.