CID 1990758

3-amino-6-phenyl-n-(4-sulfamoylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C21H15F3N4O3S2
SMILES
C1=CC=C(C=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/C21H15F3N4O3S2/c22-21(23,24)14-10-15(11-4-2-1-3-5-11)28-20-16(14)17(25)18(32-20)19(29)27-12-6-8-13(9-7-12)33(26,30)31/h1-10H,25H2,(H,27,29)(H2,26,30,31)
InChIKey
QQRXGNBWNBZAKR-UHFFFAOYSA-N
Compound name
3-amino-6-phenyl-N-(4-sulfamoylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.05377 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.06105 200.5
[M+Na]+ 515.04299 208.1
[M+NH4]+ 510.08759 203.9
[M+K]+ 531.01693 202.6
[M-H]- 491.04649 201.0
[M+Na-2H]- 513.02844 206.1
[M]+ 492.05322 202.2
[M]- 492.05432 202.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.