CID 1990769

421569-70-2

Structural Information

Molecular Formula
C19H13F3N4O3S3
SMILES
C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)N
InChI
InChI=1S/C19H13F3N4O3S3/c20-19(21,22)11-8-12(13-2-1-7-30-13)26-18-14(11)15(23)16(31-18)17(27)25-9-3-5-10(6-4-9)32(24,28)29/h1-8H,23H2,(H,25,27)(H2,24,28,29)
InChIKey
PHWRYEPMCCLTCD-UHFFFAOYSA-N
Compound name
3-amino-N-(4-sulfamoylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.0102 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.01748 200.2
[M+Na]+ 520.99942 205.6
[M+NH4]+ 516.04402 203.7
[M+K]+ 536.97336 200.9
[M-H]- 497.00292 200.0
[M+Na-2H]- 518.98487 204.0
[M]+ 498.00965 201.7
[M]- 498.01075 201.7
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

No patent data available for this compound.