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 193.8
[M+Na]+ 397.24618 196.8
[M-H]- 373.24968 199.6
[M+NH4]+ 392.29078 205.1
[M+K]+ 413.22012 195.0
[M+H-H2O]+ 357.25422 183.2
[M+HCOO]- 419.25516 204.4
[M+CH3COO]- 433.27081 217.6
[M+Na-2H]- 395.23163 193.7
[M]+ 374.25641 190.8
[M]- 374.25751 190.8
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.