CID 3072242

Cyclohexanecarboxamide, n-(5-(trifluoromethyl)-2-(((trifluoromethyl)sulfonyl)amino)-3-pyridinyl)-

Structural Information

Molecular Formula
C14H15F6N3O3S
SMILES
C1CCC(CC1)C(=O)NC2=C(N=CC(=C2)C(F)(F)F)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C14H15F6N3O3S/c15-13(16,17)9-6-10(22-12(24)8-4-2-1-3-5-8)11(21-7-9)23-27(25,26)14(18,19)20/h6-8H,1-5H2,(H,21,23)(H,22,24)
InChIKey
RQEGVJJJECENCD-UHFFFAOYSA-N
Compound name
N-[5-(trifluoromethyl)-2-(trifluoromethylsulfonylamino)pyridin-3-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.07382 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.08110 184.8
[M+Na]+ 442.06304 189.9
[M-H]- 418.06654 181.3
[M+NH4]+ 437.10764 192.7
[M+K]+ 458.03698 184.9
[M+H-H2O]+ 402.07108 172.0
[M+HCOO]- 464.07202 189.5
[M+CH3COO]- 478.08767 222.2
[M+Na-2H]- 440.04849 186.3
[M]+ 419.07327 174.4
[M]- 419.07437 174.4
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.