CID 2019071

618411-98-6

Structural Information

Molecular Formula
C17H17FN4OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)F)C3=CC=CS3
InChI
InChI=1S/C17H17FN4OS2/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
ODXOQQCFRPDHJA-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-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

376.0828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09008 182.6
[M+Na]+ 399.07202 194.3
[M-H]- 375.07552 189.2
[M+NH4]+ 394.11662 195.9
[M+K]+ 415.04596 187.2
[M+H-H2O]+ 359.08006 174.2
[M+HCOO]- 421.08100 196.0
[M+CH3COO]- 435.09665 193.4
[M+Na-2H]- 397.05747 178.8
[M]+ 376.08225 188.6
[M]- 376.08335 188.6
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.