CID 72072

Dipiproverine

Structural Information

Molecular Formula

C₂₀H₃₀N₂O₂

SMILES

C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C20H30N2O2/c23-20(24-17-16-21-12-6-2-7-13-21)19(18-10-4-1-5-11-18)22-14-8-3-9-15-22/h1,4-5,10-11,19H,2-3,6-9,12-17H2

InChIKey

CGYQGGSMYNXXIV-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 2-phenyl-2-piperidin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 696
Patents: 330.23074 Da
Monoisotopic Mass: 3.6
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]+	331.238016	182.9
[M+Na]+	353.219958	181.3
[M-H]-	329.223464	186.3
[M+NH4]+	348.264563	191.9
[M+K]+	369.193898	177.7
[M+H-H2O]+	313.228000	171.1
[M+HCOO]-	375.228941	193.6
[M+CH3COO]-	389.244591	207.6
[M+Na-2H]-	351.205406	181.7
[M]+	330.23019142	174.3
[M]-	330.23128858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe