CID 36476

(+)-1-methyl-3-benzoyl-3-benzoyloxypiperidine hydrochloride

Structural Information

Molecular Formula
C20H21NO3
SMILES
CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO3/c1-21-14-8-13-20(15-21,18(22)16-9-4-2-5-10-16)24-19(23)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3
InChIKey
JXRMJCVXXUVMST-UHFFFAOYSA-N
Compound name
(3-benzoyl-1-methylpiperidin-3-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 177.8
[M+Na]+ 346.14135 190.9
[M+NH4]+ 341.18595 186.6
[M+K]+ 362.11529 181.7
[M-H]- 322.14485 182.8
[M+Na-2H]- 344.12680 188.0
[M]+ 323.15158 181.2
[M]- 323.15268 181.2
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.