CID 1033185

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

Structural Information

Molecular Formula
C24H20F3N3O3S
SMILES
CCOC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)OC)N
InChI
InChI=1S/C24H20F3N3O3S/c1-3-33-16-8-4-13(5-9-16)18-12-17(24(25,26)27)19-20(28)21(34-23(19)30-18)22(31)29-14-6-10-15(32-2)11-7-14/h4-12H,3,28H2,1-2H3,(H,29,31)
InChIKey
UGNXCKQZKVRIQG-UHFFFAOYSA-N
Compound name
3-amino-6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.11774 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.12502 209.8
[M+Na]+ 510.10696 219.6
[M+NH4]+ 505.15156 213.8
[M+K]+ 526.08090 213.4
[M-H]- 486.11046 211.0
[M+Na-2H]- 508.09241 215.2
[M]+ 487.11719 211.7
[M]- 487.11829 211.7
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.