CID 209648

20071-86-7

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

CC(=O)OC1CCCN(C1C(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

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

InChIKey

BZVCWLQBZHCBHC-UHFFFAOYSA-N

Compound name

(2-benzhydryl-1-methylpiperidin-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 323.18854 Da
Monoisotopic Mass: 4.2
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]+	324.195816	179.4
[M+Na]+	346.177758	182.5
[M-H]-	322.181264	186.3
[M+NH4]+	341.222363	191.1
[M+K]+	362.151698	178.4
[M+H-H2O]+	306.185800	169.1
[M+HCOO]-	368.186741	195.6
[M+CH3COO]-	382.202391	209.1
[M+Na-2H]-	344.163206	179.3
[M]+	323.18799142	175.9
[M]-	323.18908858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe