CID 3072211

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

Structural Information

Molecular Formula
C13H18F3N3O3S
SMILES
CCCCCC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C13H18F3N3O3S/c1-3-4-5-6-11(20)18-10-7-9(13(14,15)16)8-17-12(10)19-23(2,21)22/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
OSRDFVRAEIBLFZ-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10938 175.8
[M+Na]+ 376.09132 182.4
[M-H]- 352.09482 173.8
[M+NH4]+ 371.13592 187.3
[M+K]+ 392.06526 178.0
[M+H-H2O]+ 336.09936 165.7
[M+HCOO]- 398.10030 188.1
[M+CH3COO]- 412.11595 214.1
[M+Na-2H]- 374.07677 177.6
[M]+ 353.10155 175.6
[M]- 353.10265 175.6
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

No patent data available for this compound.