CID 4839

Piperidolate

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3

InChIKey

KTHVBAZBLKXIHZ-UHFFFAOYSA-N

Compound name

(1-ethylpiperidin-3-yl) 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 25
References: 658
Patents: 323.18854 Da
Monoisotopic Mass: 4.4
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]+	324.19582	180.2
[M+Na]+	346.17776	193.5
[M+NH4]+	341.22236	188.3
[M+K]+	362.15170	185.3
[M-H]-	322.18126	186.0
[M+Na-2H]-	344.16321	189.2
[M]+	323.18799	183.8
[M]-	323.18909	183.8

Literature stripe

literature stripe

Patent stripe

patents stripe