CID 11405965

Flurpiridaz (18f)

Structural Information

Molecular Formula
C18H22ClFN2O3
SMILES
CC(C)(C)N1C(=O)C(=C(C=N1)OCC2=CC=C(C=C2)COCC[18F])Cl
InChI
InChI=1S/C18H22ClFN2O3/c1-18(2,3)22-17(23)16(19)15(10-21-22)25-12-14-6-4-13(5-7-14)11-24-9-8-20/h4-7,10H,8-9,11-12H2,1-3H3/i20-1
InChIKey
RMXZKEPDYBTFOS-LRFGSCOBSA-N
Compound name
2-tert-butyl-4-chloro-5-[[4-(2-(18F)fluoranylethoxymethyl)phenyl]methoxy]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

42
References

296
Patents

367.13284 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14012 184.9
[M+Na]+ 390.12206 194.7
[M-H]- 366.12556 187.8
[M+NH4]+ 385.16666 196.0
[M+K]+ 406.09600 189.0
[M+H-H2O]+ 350.13010 175.0
[M+HCOO]- 412.13104 198.6
[M+CH3COO]- 426.14669 215.3
[M+Na-2H]- 388.10751 187.8
[M]+ 367.13229 191.9
[M]- 367.13339 191.9
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