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)fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

420
References

1625
Patents

359.18747 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19475 186.2
[M+Na]+ 382.17669 191.1
[M-H]- 358.18019 189.0
[M+NH4]+ 377.22129 196.8
[M+K]+ 398.15063 186.2
[M+H-H2O]+ 342.18473 174.8
[M+HCOO]- 404.18567 207.9
[M+CH3COO]- 418.20132 217.0
[M+Na-2H]- 380.16214 189.5
[M]+ 359.18692 190.2
[M]- 359.18802 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe