CID 3072209

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

Structural Information

Molecular Formula
C11H14F3N3O3S
SMILES
CCCC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C11H14F3N3O3S/c1-3-4-9(18)16-8-5-7(11(12,13)14)6-15-10(8)17-21(2,19)20/h5-6H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
BCMNNPWGOSIWPC-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0708 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07808 169.9
[M+Na]+ 348.06002 174.9
[M+NH4]+ 343.10462 172.2
[M+K]+ 364.03396 170.9
[M-H]- 324.06352 164.6
[M+Na-2H]- 346.04547 171.1
[M]+ 325.07025 168.9
[M]- 325.07135 168.9
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.