CID 3041632

Brn 1488901

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCN(C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C20H32N2O2/c1-6-19(23)24-20(18-10-8-7-9-11-18)14-17(3)22(15-16(20)2)13-12-21(4)5/h7-11,16-17H,6,12-15H2,1-5H3
InChIKey
DXKDIVGOAVOFMZ-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethyl]-2,5-dimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25365 183.0
[M+Na]+ 355.23559 186.9
[M-H]- 331.23909 188.6
[M+NH4]+ 350.28019 197.9
[M+K]+ 371.20953 185.0
[M+H-H2O]+ 315.24363 174.3
[M+HCOO]- 377.24457 200.9
[M+CH3COO]- 391.26022 218.4
[M+Na-2H]- 353.22104 182.6
[M]+ 332.24582 183.9
[M]- 332.24692 183.9
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.