CID 1992928

585564-16-5

Structural Information

Molecular Formula
C17H16FN5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=CC=N3
InChI
InChI=1S/C17H16FN5OS/c1-2-23-16(14-9-5-6-10-19-14)21-22-17(23)25-11-15(24)20-13-8-4-3-7-12(13)18/h3-10H,2,11H2,1H3,(H,20,24)
InChIKey
HFBGXGNVHDIVLY-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.10596 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11324 180.2
[M+Na]+ 380.09518 193.0
[M+NH4]+ 375.13978 185.9
[M+K]+ 396.06912 186.0
[M-H]- 356.09868 182.9
[M+Na-2H]- 378.08063 188.2
[M]+ 357.10541 183.0
[M]- 357.10651 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.