CID 25183380

Flortanidazole f-18

Structural Information

Molecular Formula
C9H11FN6O3
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC2=CN(N=N2)C(CO)C[18F]
InChI
InChI=1S/C9H11FN6O3/c10-3-8(6-17)15-5-7(12-13-15)4-14-2-1-11-9(14)16(18)19/h1-2,5,8,17H,3-4,6H2/i10-1
InChIKey
ZSSPATINHRVRTN-LMANFOLPSA-N
Compound name
3-(18F)fluoro-2-[4-[(2-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

149
Patents

269.0902 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.097476 152.0
[M+Na]+ 292.079418 160.4
[M-H]- 268.082924 151.5
[M+NH4]+ 287.124023 163.5
[M+K]+ 308.053358 153.8
[M+H-H2O]+ 252.087460 145.8
[M+HCOO]- 314.088401 172.1
[M+CH3COO]- 328.104051 187.7
[M+Na-2H]- 290.064866 157.7
[M]+ 269.08965142 151.6
[M]- 269.09074858 151.6
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