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 191.9
[M+Na]+ 383.26690 194.9
[M-H]- 359.27040 197.1
[M+NH4]+ 378.31150 205.6
[M+K]+ 399.24084 192.5
[M+H-H2O]+ 343.27494 182.9
[M+HCOO]- 405.27588 209.1
[M+CH3COO]- 419.29153 224.3
[M+Na-2H]- 381.25235 190.5
[M]+ 360.27713 193.5
[M]- 360.27823 193.5
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.