CID 15950376

Flutemetamol f-18

Structural Information

Molecular Formula
C14H11FN2OS
SMILES
CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)[18F]
InChI
InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1
InChIKey
VVECGOCJFKTUAX-HUYCHCPVSA-N
Compound name
2-[3-(18F)fluoranyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

143
References

1065
Patents

273.06015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06743 157.5
[M+Na]+ 296.04937 171.6
[M+NH4]+ 291.09397 166.3
[M+K]+ 312.02331 163.8
[M-H]- 272.05287 161.2
[M+Na-2H]- 294.03482 165.3
[M]+ 273.05960 161.1
[M]- 273.06070 161.1
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