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]+ 375.264236 193.8
[M+Na]+ 397.246178 196.8
[M-H]- 373.249684 199.6
[M+NH4]+ 392.290783 205.1
[M+K]+ 413.220118 195.0
[M+H-H2O]+ 357.254220 183.2
[M+HCOO]- 419.255161 204.4
[M+CH3COO]- 433.270811 217.6
[M+Na-2H]- 395.231626 193.7
[M]+ 374.25641142 190.8
[M]- 374.25750858 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.