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 167.0
[M+Na]+ 348.06002 174.5
[M-H]- 324.06352 165.5
[M+NH4]+ 343.10462 179.6
[M+K]+ 364.03396 170.5
[M+H-H2O]+ 308.06806 157.3
[M+HCOO]- 370.06900 180.0
[M+CH3COO]- 384.08465 208.2
[M+Na-2H]- 346.04547 169.8
[M]+ 325.07025 166.1
[M]- 325.07135 166.1
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.