CID 3072232

Benzeneacetamide, n-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-

Structural Information

Molecular Formula
C15H14F3N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H14F3N3O3S/c1-25(23,24)21-14-12(8-11(9-19-14)15(16,17)18)20-13(22)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,19,21)(H,20,22)
InChIKey
AQWFBEKLJGUSLC-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0708 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.078076 179.7
[M+Na]+ 396.060018 187.0
[M-H]- 372.063524 181.2
[M+NH4]+ 391.104623 190.0
[M+K]+ 412.033958 181.6
[M+H-H2O]+ 356.068060 168.7
[M+HCOO]- 418.069001 193.0
[M+CH3COO]- 432.084651 215.9
[M+Na-2H]- 394.045466 183.5
[M]+ 373.07025142 178.0
[M]- 373.07134858 178.0
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.