CID 24822371

Florbetapir f-18

Structural Information

Molecular Formula

C₂₀H₂₅FN₂O₃

SMILES

CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCC[18F]

InChI

InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1

InChIKey

YNDIAUKFXKEXSV-CRYLGTRXSA-N

Compound name

4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 421
References: 1445
Patents: 359.18747 Da
Monoisotopic Mass: 3.5
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]+	360.194746	186.2
[M+Na]+	382.176688	191.1
[M-H]-	358.180194	189.0
[M+NH4]+	377.221293	196.8
[M+K]+	398.150628	186.2
[M+H-H2O]+	342.184730	174.8
[M+HCOO]-	404.185671	207.9
[M+CH3COO]-	418.201321	217.0
[M+Na-2H]-	380.162136	189.5
[M]+	359.18692142	190.2
[M]-	359.18801858	190.2

Literature stripe

literature stripe

Patent stripe

patents stripe