CID 3041634

Brn 1494685

Structural Information

Molecular Formula
C22H36N2O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCN(CC)CC)C)C2=CC=CC=C2
InChI
InChI=1S/C22H36N2O2/c1-6-21(25)26-22(20-12-10-9-11-13-20)16-19(5)24(17-18(22)4)15-14-23(7-2)8-3/h9-13,18-19H,6-8,14-17H2,1-5H3
InChIKey
JOHVLOHSMHYTEU-UHFFFAOYSA-N
Compound name
[1-[2-(diethylamino)ethyl]-2,5-dimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.27768 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28496 192.4
[M+Na]+ 383.26690 202.6
[M+NH4]+ 378.31150 200.3
[M+K]+ 399.24084 193.5
[M-H]- 359.27040 196.0
[M+Na-2H]- 381.25235 198.4
[M]+ 360.27713 194.9
[M]- 360.27823 194.9
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.