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 180.0
[M+Na]+ 381.09042 189.8
[M-H]- 357.09392 183.0
[M+NH4]+ 376.13502 188.2
[M+K]+ 397.06436 182.6
[M+H-H2O]+ 341.09846 168.4
[M+HCOO]- 403.09940 193.9
[M+CH3COO]- 417.11505 189.2
[M+Na-2H]- 379.07587 180.8
[M]+ 358.10065 182.4
[M]- 358.10175 182.4
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.