CID 3064178

4-piperidineacetic acid, 4-hydroxy-1-methyl-, diphenylmethyl ester

Structural Information

Molecular Formula
C21H25NO3
SMILES
CN1CCC(CC1)(CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO3/c1-22-14-12-21(24,13-15-22)16-19(23)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20,24H,12-16H2,1H3
InChIKey
SRDJLPUIWKOXSA-UHFFFAOYSA-N
Compound name
benzhydryl 2-(4-hydroxy-1-methylpiperidin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 183.6
[M+Na]+ 362.172658 186.3
[M-H]- 338.176164 189.1
[M+NH4]+ 357.217263 195.7
[M+K]+ 378.146598 182.3
[M+H-H2O]+ 322.180700 173.7
[M+HCOO]- 384.181641 198.5
[M+CH3COO]- 398.197291 207.1
[M+Na-2H]- 360.158106 184.9
[M]+ 339.18289142 179.6
[M]- 339.18398858 179.6
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.