CID 1071896

556822-77-6

Structural Information

Molecular Formula
C16H15FN4OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=CS3
InChI
InChI=1S/C16H15FN4OS2/c1-2-21-15(13-8-5-9-23-13)19-20-16(21)24-10-14(22)18-12-7-4-3-6-11(12)17/h3-9H,2,10H2,1H3,(H,18,22)
InChIKey
FIHMGQFJLBDNOQ-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06714 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07442 178.4
[M+Na]+ 385.05636 189.8
[M+NH4]+ 380.10096 185.0
[M+K]+ 401.03030 182.9
[M-H]- 361.05986 181.4
[M+Na-2H]- 383.04181 185.1
[M]+ 362.06659 181.6
[M]- 362.06769 181.6
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.