CID 16051

Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride

Structural Information

Molecular Formula
C20H23NO2
SMILES
CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c1-21-14-12-18(13-15-21)23-20(22)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKey
HVLMWCBEAXEKAD-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

89
References

226
Patents

309.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.0
[M+Na]+ 332.16210 177.6
[M-H]- 308.16560 181.7
[M+NH4]+ 327.20670 187.0
[M+K]+ 348.13604 173.6
[M+H-H2O]+ 292.17014 164.7
[M+HCOO]- 354.17108 191.5
[M+CH3COO]- 368.18673 205.0
[M+Na-2H]- 330.14755 176.2
[M]+ 309.17233 170.7
[M]- 309.17343 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe