CID 2060513

618426-87-2

Structural Information

Molecular Formula
C17H15F2N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)C3=CC=NC=C3
InChI
InChI=1S/C17H15F2N5OS/c1-2-24-16(11-5-7-20-8-6-11)22-23-17(24)26-10-15(25)21-14-4-3-12(18)9-13(14)19/h3-9H,2,10H2,1H3,(H,21,25)
InChIKey
BKTOHWDRKKBBKQ-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.09653 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10381 183.1
[M+Na]+ 398.08575 194.7
[M+NH4]+ 393.13035 187.7
[M+K]+ 414.05969 188.2
[M-H]- 374.08925 184.0
[M+Na-2H]- 396.07120 189.7
[M]+ 375.09598 185.1
[M]- 375.09708 185.1
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.