CID 3064311

4-piperidinemethanol, 4-hydroxy-1-methyl-, benzilate

Structural Information

Molecular Formula
C21H25NO4
SMILES
CN1CCC(CC1)(COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C21H25NO4/c1-22-14-12-20(24,13-15-22)16-26-19(23)21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,24-25H,12-16H2,1H3
InChIKey
OJAMPQJUZOUNLD-UHFFFAOYSA-N
Compound name
(4-hydroxy-1-methylpiperidin-4-yl)methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.185616 186.5
[M+Na]+ 378.167558 189.3
[M-H]- 354.171064 190.9
[M+NH4]+ 373.212163 197.3
[M+K]+ 394.141498 185.3
[M+H-H2O]+ 338.175600 177.3
[M+HCOO]- 400.176541 199.5
[M+CH3COO]- 414.192191 206.5
[M+Na-2H]- 376.153006 189.8
[M]+ 355.17779142 182.4
[M]- 355.17888858 182.4
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.