CID 4386941

442672-36-8

Structural Information

Molecular Formula
C17H15FN4O2S
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=CO3
InChI
InChI=1S/C17H15FN4O2S/c1-2-9-22-16(14-8-5-10-24-14)20-21-17(22)25-11-15(23)19-13-7-4-3-6-12(13)18/h2-8,10H,1,9,11H2,(H,19,23)
InChIKey
HFJDFFXNAWHTFG-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

358.08997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09725 182.0
[M+Na]+ 381.07919 193.9
[M+NH4]+ 376.12379 187.3
[M+K]+ 397.05313 189.4
[M-H]- 357.08269 185.4
[M+Na-2H]- 379.06464 188.2
[M]+ 358.08942 184.9
[M]- 358.09052 184.9
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.