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)pyridin-3-yl]-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]+ 374.07808 179.7
[M+Na]+ 396.06002 187.0
[M-H]- 372.06352 181.2
[M+NH4]+ 391.10462 190.0
[M+K]+ 412.03396 181.6
[M+H-H2O]+ 356.06806 168.7
[M+HCOO]- 418.06900 193.0
[M+CH3COO]- 432.08465 215.9
[M+Na-2H]- 394.04547 183.5
[M]+ 373.07025 178.0
[M]- 373.07135 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.