CID 449646

Mppf f-18

Structural Information

Molecular Formula
C25H27FN4O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)[18F]
InChI
InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3/i26-1
InChIKey
YJZYDPRMWYWYCG-KPVNRNJOSA-N
Compound name
4-(18F)fluoranyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

46
Patents

433.21432 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.22160 206.9
[M+Na]+ 456.20354 220.4
[M+NH4]+ 451.24814 212.5
[M+K]+ 472.17748 212.1
[M-H]- 432.20704 212.7
[M+Na-2H]- 454.18899 216.7
[M]+ 433.21377 210.3
[M]- 433.21487 210.3
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