CID 1992231

585562-20-5

Structural Information

Molecular Formula
C17H17FN4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)F)C3=CC=CO3
InChI
InChI=1S/C17H17FN4O2S/c1-3-22-16(14-5-4-8-24-14)20-21-17(22)25-10-15(23)19-12-7-6-11(2)13(18)9-12/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKey
BFSBFYPAUVOCNP-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.10562 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11290 183.5
[M+Na]+ 383.09484 195.7
[M+NH4]+ 378.13944 189.0
[M+K]+ 399.06878 191.4
[M-H]- 359.09834 187.1
[M+Na-2H]- 381.08029 189.4
[M]+ 360.10507 186.5
[M]- 360.10617 186.5
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.