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)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 144
Patents: 257.08298 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.090256	153.7
[M+Na]+	280.072198	165.3
[M-H]-	256.075704	159.7
[M+NH4]+	275.116803	170.4
[M+K]+	296.046138	161.1
[M+H-H2O]+	240.080240	145.6
[M+HCOO]-	302.081181	176.8
[M+CH3COO]-	316.096831	167.2
[M+Na-2H]-	278.057646	160.4
[M]+	257.08243142	155.9
[M]-	257.08352858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe