CID 3072244

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

Structural Information

Molecular Formula
C12H10F3N3O3S2
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2=CC=CS2
InChI
InChI=1S/C12H10F3N3O3S2/c1-23(20,21)18-10-8(5-7(6-16-10)12(13,14)15)17-11(19)9-3-2-4-22-9/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKey
YVTPHCIICZCPFX-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

365.01157 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.01885 176.6
[M+Na]+ 388.00079 181.5
[M+NH4]+ 383.04539 179.8
[M+K]+ 403.97473 177.2
[M-H]- 364.00429 173.4
[M+Na-2H]- 385.98624 179.2
[M]+ 365.01102 176.7
[M]- 365.01212 176.7
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