CID 24875298

Feppa f-18

Structural Information

Molecular Formula
C22H21FN2O3
SMILES
CC(=O)N(CC1=CC=CC=C1OCC[18F])C2=C(C=CN=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H21FN2O3/c1-17(26)25(16-18-7-5-6-10-21(18)27-14-12-23)20-15-24-13-11-22(20)28-19-8-3-2-4-9-19/h2-11,13,15H,12,14,16H2,1H3/i23-1
InChIKey
HCUHRHHLUUZJEQ-VNRZBHCFSA-N
Compound name
N-[[2-(2-(18F)fluoranylethoxy)phenyl]methyl]-N-(4-phenoxypyridin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

22
Patents

379.15616 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16344 190.8
[M+Na]+ 402.14538 195.9
[M-H]- 378.14888 198.5
[M+NH4]+ 397.18998 200.5
[M+K]+ 418.11932 191.9
[M+H-H2O]+ 362.15342 178.3
[M+HCOO]- 424.15436 212.4
[M+CH3COO]- 438.17001 223.0
[M+Na-2H]- 400.13083 193.6
[M]+ 379.15561 193.3
[M]- 379.15671 193.3
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