CID 3041647

4-piperidinol, 2,5-dimethyl-4-phenyl-1-(3-piperidinopropyl)-, propanoate (ester), ditartrate

Structural Information

Molecular Formula
C24H38N2O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCCN2CCCCC2)C)C3=CC=CC=C3
InChI
InChI=1S/C24H38N2O2/c1-4-23(27)28-24(22-12-7-5-8-13-22)18-21(3)26(19-20(24)2)17-11-16-25-14-9-6-10-15-25/h5,7-8,12-13,20-21H,4,6,9-11,14-19H2,1-3H3
InChIKey
XABHEINRGIFEGU-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-4-phenyl-1-(3-piperidin-1-ylpropyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.29333 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.30061 200.8
[M+Na]+ 409.28255 201.7
[M-H]- 385.28605 205.1
[M+NH4]+ 404.32715 210.7
[M+K]+ 425.25649 197.3
[M+H-H2O]+ 369.29059 189.3
[M+HCOO]- 431.29153 211.2
[M+CH3COO]- 445.30718 221.5
[M+Na-2H]- 407.26800 197.6
[M]+ 386.29278 195.8
[M]- 386.29388 195.8
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.