CID 44815683

Flutafuranol (18f)

Structural Information

Molecular Formula
C14H11FN2O2
SMILES
CNC1=NC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)O)[18F]
InChI
InChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)/i15-1
InChIKey
MYNQXTDIPMCJCR-HUYCHCPVSA-N
Compound name
2-[2-(18F)fluoranyl-6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

156
Patents

257.08298 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09026 155.7
[M+Na]+ 280.07220 170.3
[M+NH4]+ 275.11680 163.6
[M+K]+ 296.04614 165.3
[M-H]- 256.07570 160.1
[M+Na-2H]- 278.05765 163.1
[M]+ 257.08243 159.0
[M]- 257.08353 159.0
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