CID 3346326

2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]-n-(2,4,5-trifluorophenyl)acetamide

Structural Information

Molecular Formula
C11H9F3N4OS
SMILES
CN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2F)F)F
InChI
InChI=1S/C11H9F3N4OS/c1-18-5-15-17-11(18)20-4-10(19)16-9-3-7(13)6(12)2-8(9)14/h2-3,5H,4H2,1H3,(H,16,19)
InChIKey
VGYUXMZLPMERTQ-UHFFFAOYSA-N
Compound name
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.04492 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05220 160.2
[M+Na]+ 325.03414 171.5
[M-H]- 301.03764 160.5
[M+NH4]+ 320.07874 174.0
[M+K]+ 341.00808 165.9
[M+H-H2O]+ 285.04218 149.4
[M+HCOO]- 347.04312 174.6
[M+CH3COO]- 361.05877 203.7
[M+Na-2H]- 323.01959 159.1
[M]+ 302.04437 160.7
[M]- 302.04547 160.7
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.