CID 3072212

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

Structural Information

Molecular Formula
C14H18F3N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2CCCCC2
InChI
InChI=1S/C14H18F3N3O3S/c1-24(22,23)20-12-11(7-10(8-18-12)14(15,16)17)19-13(21)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,18,20)(H,19,21)
InChIKey
AXHKEINTIBWKLT-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.1021 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10938 177.4
[M+Na]+ 388.09132 182.1
[M-H]- 364.09482 177.8
[M+NH4]+ 383.13592 187.8
[M+K]+ 404.06526 177.7
[M+H-H2O]+ 348.09936 166.9
[M+HCOO]- 410.10030 186.8
[M+CH3COO]- 424.11595 214.1
[M+Na-2H]- 386.07677 179.2
[M]+ 365.10155 171.3
[M]- 365.10265 171.3
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

patents stripe