CID 449812

(18f)fp-tztp

Structural Information

Molecular Formula
C11H16FN3S2
SMILES
CN1CCC=C(C1)C2=NSN=C2SCCC[18F]
InChI
InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3/i12-1
InChIKey
NQKPPQNBFQLLIZ-DWSYCVKZSA-N
Compound name
3-(3-(18F)fluoranylpropylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

272.0795 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08678 154.7
[M+Na]+ 295.06872 163.9
[M-H]- 271.07222 156.0
[M+NH4]+ 290.11332 170.2
[M+K]+ 311.04266 158.6
[M+H-H2O]+ 255.07676 146.4
[M+HCOO]- 317.07770 163.0
[M+CH3COO]- 331.09335 165.4
[M+Na-2H]- 293.05417 152.3
[M]+ 272.07895 155.5
[M]- 272.08005 155.5
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