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: 97
Patents: 325.1678 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.17508	177.9
[M+Na]+	348.15702	180.7
[M-H]-	324.16052	183.5
[M+NH4]+	343.20162	188.7
[M+K]+	364.13096	176.6
[M+H-H2O]+	308.16506	168.3
[M+HCOO]-	370.16600	192.5
[M+CH3COO]-	384.18165	204.2
[M+Na-2H]-	346.14247	180.9
[M]+	325.16725	173.4
[M]-	325.16835	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe