CID 25226706

Chembl459338

Structural Information

Molecular Formula
C16H12FN3OS2
SMILES
C1=CC=C(C=C1)C2=C(SN=N2)SCC(=O)NC3=CC=CC=C3F
InChI
InChI=1S/C16H12FN3OS2/c17-12-8-4-5-9-13(12)18-14(21)10-22-16-15(19-20-23-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKey
HGHOUESZYYUYKA-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.0406 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04788 172.9
[M+Na]+ 368.02982 182.3
[M-H]- 344.03332 179.1
[M+NH4]+ 363.07442 185.9
[M+K]+ 384.00376 174.8
[M+H-H2O]+ 328.03786 163.9
[M+HCOO]- 390.03880 185.5
[M+CH3COO]- 404.05445 183.3
[M+Na-2H]- 366.01527 173.0
[M]+ 345.04005 174.6
[M]- 345.04115 174.6
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

No patent data available for this compound.