CID 48271

P-methoxyphenylacetic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C19H29NO3
SMILES
CC1CCCC(N1CCCOC(=O)CC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C19H29NO3/c1-15-6-4-7-16(2)20(15)12-5-13-23-19(21)14-17-8-10-18(22-3)11-9-17/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKey
PFYGHZPITJPIQI-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylpiperidin-1-yl)propyl 2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 179.6
[M+Na]+ 342.20397 191.0
[M+NH4]+ 337.24857 186.3
[M+K]+ 358.17791 183.8
[M-H]- 318.20747 182.3
[M+Na-2H]- 340.18942 184.4
[M]+ 319.21420 181.8
[M]- 319.21530 181.8
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.