CID 154529

Fuzapladib

Structural Information

Molecular Formula
C15H20F3N3O3S
SMILES
CCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2CCCCC2
InChI
InChI=1S/C15H20F3N3O3S/c1-2-25(23,24)21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKey
TUWCZRFHNIOVTC-UHFFFAOYSA-N
Compound name
N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

131
Patents

379.11774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12502 181.4
[M+Na]+ 402.10696 185.7
[M+NH4]+ 397.15156 184.0
[M+K]+ 418.08090 181.2
[M-H]- 378.11046 178.0
[M+Na-2H]- 400.09241 183.5
[M]+ 379.11719 180.8
[M]- 379.11829 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe