CID 3851861

573930-79-7

Structural Information

Molecular Formula
C16H15FN6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=NC=CN=C3
InChI
InChI=1S/C16H15FN6OS/c1-2-23-15(13-9-18-7-8-19-13)21-22-16(23)25-10-14(24)20-12-6-4-3-5-11(12)17/h3-9H,2,10H2,1H3,(H,20,24)
InChIKey
YNHWBTGNALQWOK-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

358.1012 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10848 178.9
[M+Na]+ 381.09042 191.6
[M+NH4]+ 376.13502 183.8
[M+K]+ 397.06436 185.2
[M-H]- 357.09392 180.8
[M+Na-2H]- 379.07587 186.7
[M]+ 358.10065 181.4
[M]- 358.10175 181.4
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.