CID 206926

28867-24-5

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CCC(=O)OC1(CC(N(CC1(C)CN2CCOCC2)C)C)C3=CC=CC=C3
InChI
InChI=1S/C22H34N2O3/c1-5-20(25)27-22(19-9-7-6-8-10-19)15-18(2)23(4)16-21(22,3)17-24-11-13-26-14-12-24/h6-10,18H,5,11-17H2,1-4H3
InChIKey
DVGFGYHNIQPBRE-UHFFFAOYSA-N
Compound name
[1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26424 193.9
[M+Na]+ 397.24618 205.1
[M+NH4]+ 392.29078 203.1
[M+K]+ 413.22012 194.8
[M-H]- 373.24968 199.2
[M+Na-2H]- 395.23163 201.5
[M]+ 374.25641 197.3
[M]- 374.25751 197.3
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.