CID 535375

442656-29-3

Structural Information

Molecular Formula
C17H15FN4OS2
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=CS3
InChI
InChI=1S/C17H15FN4OS2/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
PASYHNNQODECSW-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06714 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07442 182.5
[M+Na]+ 397.05636 193.8
[M+NH4]+ 392.10096 188.7
[M+K]+ 413.03030 186.5
[M-H]- 373.05986 185.3
[M+Na-2H]- 395.04181 188.9
[M]+ 374.06659 185.6
[M]- 374.06769 185.6
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.