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 183.0
[M+Na]+ 399.08102 193.6
[M-H]- 375.08452 185.0
[M+NH4]+ 394.12562 190.6
[M+K]+ 415.05496 185.8
[M+H-H2O]+ 359.08906 170.6
[M+HCOO]- 421.09000 195.7
[M+CH3COO]- 435.10565 191.9
[M+Na-2H]- 397.06647 182.4
[M]+ 376.09125 184.8
[M]- 376.09235 184.8
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.