CID 3072214

Benzamide, 4-fluoro-n-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-

Structural Information

Molecular Formula
C14H11F4N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H11F4N3O3S/c1-25(23,24)21-12-11(6-9(7-19-12)14(16,17)18)20-13(22)8-2-4-10(15)5-3-8/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKey
OXNVUDNVKDMBBJ-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

377.04572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05300 179.1
[M+Na]+ 400.03494 185.0
[M+NH4]+ 395.07954 181.0
[M+K]+ 416.00888 180.5
[M-H]- 376.03844 175.0
[M+Na-2H]- 398.02039 182.2
[M]+ 377.04517 178.6
[M]- 377.04627 178.6
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

patents stripe