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]+ 356.18562 186.5
[M+Na]+ 378.16756 189.3
[M-H]- 354.17106 190.9
[M+NH4]+ 373.21216 197.3
[M+K]+ 394.14150 185.3
[M+H-H2O]+ 338.17560 177.3
[M+HCOO]- 400.17654 199.5
[M+CH3COO]- 414.19219 206.5
[M+Na-2H]- 376.15301 189.8
[M]+ 355.17779 182.4
[M]- 355.17889 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.