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 174.9
[M+Na]+ 388.00079 183.3
[M-H]- 364.00429 176.5
[M+NH4]+ 383.04539 187.6
[M+K]+ 403.97473 177.4
[M+H-H2O]+ 348.00883 165.4
[M+HCOO]- 410.00977 184.5
[M+CH3COO]- 424.02542 211.0
[M+Na-2H]- 385.98624 176.6
[M]+ 365.01102 174.1
[M]- 365.01212 174.1
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