CID 62495

N-methyl-3-piperidyl benzilate

Structural Information

Molecular Formula
C20H23NO3
SMILES
CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3
InChIKey
ZBEILXWHVSVDBN-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

96
Patents

325.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 178.7
[M+Na]+ 348.15702 191.1
[M+NH4]+ 343.20162 185.9
[M+K]+ 364.13096 184.5
[M-H]- 324.16052 183.1
[M+Na-2H]- 346.14247 187.3
[M]+ 325.16725 181.7
[M]- 325.16835 181.7
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