CID 3072235

N-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-3-cyclohexene-1-carboxamide

Structural Information

Molecular Formula
C14H16F3N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2CCC=CC2
InChI
InChI=1S/C14H16F3N3O3S/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/h2-3,7-9H,4-6H2,1H3,(H,18,20)(H,19,21)
InChIKey
IRFNCAUMENOWJE-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]cyclohex-3-ene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.08646 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09374 176.7
[M+Na]+ 386.07568 182.0
[M+NH4]+ 381.12028 179.5
[M+K]+ 402.04962 177.5
[M-H]- 362.07918 173.6
[M+Na-2H]- 384.06113 179.7
[M]+ 363.08591 176.4
[M]- 363.08701 176.4
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.