CID 3072233

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

Structural Information

Molecular Formula
C13H12F3N3O3S2
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)CC2=CC=CS2
InChI
InChI=1S/C13H12F3N3O3S2/c1-24(21,22)19-12-10(5-8(7-17-12)13(14,15)16)18-11(20)6-9-3-2-4-23-9/h2-5,7H,6H2,1H3,(H,17,19)(H,18,20)
InChIKey
LMKUPPVVCUCSGZ-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.02722 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.03450 179.0
[M+Na]+ 402.01644 186.9
[M-H]- 378.01994 180.5
[M+NH4]+ 397.06104 191.2
[M+K]+ 417.99038 180.9
[M+H-H2O]+ 362.02448 169.4
[M+HCOO]- 424.02542 188.3
[M+CH3COO]- 438.04107 213.9
[M+Na-2H]- 400.00189 180.4
[M]+ 379.02667 178.6
[M]- 379.02777 178.6
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