CID 6398888

Fedaa-1106 f-18

Structural Information

Molecular Formula
C24H23F2NO4
SMILES
CC(=O)N(CC1=C(C=CC(=C1)OC)OCC[18F])C2=C(C=CC(=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3/i25-1
InChIKey
NZVKWLWAFUSDQE-FNNGWQQSSA-N
Compound name
N-[[2-(2-(18F)fluoranylethoxy)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

119
Patents

426.16205 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16933 203.9
[M+Na]+ 449.15127 216.3
[M+NH4]+ 444.19587 209.1
[M+K]+ 465.12521 208.4
[M-H]- 425.15477 207.3
[M+Na-2H]- 447.13672 211.6
[M]+ 426.16150 206.5
[M]- 426.16260 206.5
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