CID 3041640

54521-91-4

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CCC(=O)OC1(CC(N(CC1C)CCN2CCOCC2)C)C3=CC=CC=C3
InChI
InChI=1S/C22H34N2O3/c1-4-21(25)27-22(20-8-6-5-7-9-20)16-19(3)24(17-18(22)2)11-10-23-12-14-26-15-13-23/h5-9,18-19H,4,10-17H2,1-3H3
InChIKey
BQQSPOGFEUEXSB-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-1-(2-morpholin-4-ylethyl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26424 195.6
[M+Na]+ 397.24618 197.5
[M-H]- 373.24968 201.0
[M+NH4]+ 392.29078 204.7
[M+K]+ 413.22012 195.1
[M+H-H2O]+ 357.25422 184.4
[M+HCOO]- 419.25516 206.0
[M+CH3COO]- 433.27081 217.9
[M+Na-2H]- 395.23163 194.2
[M]+ 374.25641 192.0
[M]- 374.25751 192.0
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.