CID 3041644

Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester

Structural Information

Molecular Formula
C23H38N2O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCCN(CC)CC)C)C2=CC=CC=C2
InChI
InChI=1S/C23H38N2O2/c1-6-22(26)27-23(21-13-10-9-11-14-21)17-20(5)25(18-19(23)4)16-12-15-24(7-2)8-3/h9-11,13-14,19-20H,6-8,12,15-18H2,1-5H3
InChIKey
LBELLXKPGULZMQ-UHFFFAOYSA-N
Compound name
[1-[3-(diethylamino)propyl]-2,5-dimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.29333 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.30061 196.4
[M+Na]+ 397.28255 198.9
[M-H]- 373.28605 201.3
[M+NH4]+ 392.32715 209.5
[M+K]+ 413.25649 196.3
[M+H-H2O]+ 357.29059 187.1
[M+HCOO]- 419.29153 213.2
[M+CH3COO]- 433.30718 227.3
[M+Na-2H]- 395.26800 194.4
[M]+ 374.29278 198.3
[M]- 374.29388 198.3
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.