CID 11501341

Florbetaben f-18

Structural Information

Molecular Formula
C21H26FNO3
SMILES
CNC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCOCCOCC[18F]
InChI
InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1
InChIKey
NCWZOASIUQVOFA-FWZJPQCDSA-N
Compound name
4-[(E)-2-[4-[2-[2-(2-(18F)fluoranylethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

194
References

1060
Patents

358.1922 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19948 186.8
[M+Na]+ 381.18142 191.4
[M-H]- 357.18492 190.9
[M+NH4]+ 376.22602 198.9
[M+K]+ 397.15536 186.5
[M+H-H2O]+ 341.18946 176.3
[M+HCOO]- 403.19040 209.5
[M+CH3COO]- 417.20605 217.4
[M+Na-2H]- 379.16687 189.4
[M]+ 358.19165 190.7
[M]- 358.19275 190.7
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