CID 217033

Acetamide, n-((4-((3-(trifluoromethyl)phenyl)amino)-3-pyridinyl)sulfonyl)-

Structural Information

Molecular Formula
C14H12F3N3O3S
SMILES
CC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H12F3N3O3S/c1-9(21)20-24(22,23)13-8-18-6-5-12(13)19-11-4-2-3-10(7-11)14(15,16)17/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKey
DVDDSCPKLDXHPY-UHFFFAOYSA-N
Compound name
N-[4-[3-(trifluoromethyl)anilino]pyridin-3-yl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.05515 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.06243 175.4
[M+Na]+ 382.04437 183.1
[M-H]- 358.04787 177.1
[M+NH4]+ 377.08897 186.2
[M+K]+ 398.01831 177.9
[M+H-H2O]+ 342.05241 164.6
[M+HCOO]- 404.05335 189.0
[M+CH3COO]- 418.06900 213.0
[M+Na-2H]- 380.02982 179.6
[M]+ 359.05460 173.3
[M]- 359.05570 173.3
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.