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]+ 358.113236 180.6
[M+Na]+ 380.095178 189.8
[M-H]- 356.098684 184.7
[M+NH4]+ 375.139783 190.1
[M+K]+ 396.069118 182.8
[M+H-H2O]+ 340.103220 169.3
[M+HCOO]- 402.104161 195.4
[M+CH3COO]- 416.119811 190.1
[M+Na-2H]- 378.080626 180.9
[M]+ 357.10541142 182.8
[M]- 357.10650858 182.8
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.