CID 11696868

Pbr-06 f-18

Structural Information

Molecular Formula
C23H22FNO4
SMILES
COC1=CC(=C(C=C1)OC)CN(C2=CC=CC=C2OC3=CC=CC=C3)C(=O)C[18F]
InChI
InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3/i24-1
InChIKey
NSOMTOOLHNHIJA-MIGPCILRSA-N
Compound name
N-[(2,5-dimethoxyphenyl)methyl]-2-(18F)fluoranyl-N-(2-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

22
Patents

394.15582 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16310 194.6
[M+Na]+ 417.14504 200.0
[M-H]- 393.14854 203.9
[M+NH4]+ 412.18964 205.3
[M+K]+ 433.11898 197.0
[M+H-H2O]+ 377.15308 182.8
[M+HCOO]- 439.15402 217.4
[M+CH3COO]- 453.16967 226.7
[M+Na-2H]- 415.13049 195.9
[M]+ 394.15527 198.8
[M]- 394.15637 198.8
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