CID 3072228

141283-85-4

Structural Information

Molecular Formula
C13H16F3N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2CCCC2
InChI
InChI=1S/C13H16F3N3O3S/c1-23(21,22)19-11-10(6-9(7-17-11)13(14,15)16)18-12(20)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,17,19)(H,18,20)
InChIKey
IWXQIOFKHRRNRK-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

351.08646 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09374 175.8
[M+Na]+ 374.07568 179.6
[M+NH4]+ 369.12028 178.6
[M+K]+ 390.04962 177.2
[M-H]- 350.07918 171.9
[M+Na-2H]- 372.06113 177.4
[M]+ 351.08591 175.0
[M]- 351.08701 175.0
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

patents stripe