CID 3836156

573972-53-9

Structural Information

Molecular Formula
C16H14F2N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F)C3=NC=CN=C3
InChI
InChI=1S/C16H14F2N6OS/c1-2-24-15(13-8-19-5-6-20-13)22-23-16(24)26-9-14(25)21-10-3-4-11(17)12(18)7-10/h3-8H,2,9H2,1H3,(H,21,25)
InChIKey
OGLINIWVAJOCLU-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0918 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09908 181.5
[M+Na]+ 399.08102 193.1
[M+NH4]+ 394.12562 185.5
[M+K]+ 415.05496 187.2
[M-H]- 375.08452 181.7
[M+Na-2H]- 397.06647 188.0
[M]+ 376.09125 183.3
[M]- 376.09235 183.3
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.