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]+ 375.300606 196.4
[M+Na]+ 397.282548 198.9
[M-H]- 373.286054 201.3
[M+NH4]+ 392.327153 209.5
[M+K]+ 413.256488 196.3
[M+H-H2O]+ 357.290590 187.1
[M+HCOO]- 419.291531 213.2
[M+CH3COO]- 433.307181 227.3
[M+Na-2H]- 395.267996 194.4
[M]+ 374.29278142 198.3
[M]- 374.29387858 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.