CID 28932

Pipoxolan

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

C1CCN(CC1)CCC2OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO3/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2

InChIKey

DXSUDONPFZKWOO-UHFFFAOYSA-N

Compound name

5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 793
Patents: 351.18344 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]+	352.190716	184.9
[M+Na]+	374.172658	188.7
[M-H]-	350.176164	196.1
[M+NH4]+	369.217263	196.2
[M+K]+	390.146598	186.2
[M+H-H2O]+	334.180700	174.7
[M+HCOO]-	396.181641	200.4
[M+CH3COO]-	410.197291	194.2
[M+Na-2H]-	372.158106	186.0
[M]+	351.18289142	181.3
[M]-	351.18398858	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe