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 213.5
[M+Na]+ 510.10696 222.9
[M-H]- 486.11046 219.6
[M+NH4]+ 505.15156 222.3
[M+K]+ 526.08090 215.8
[M+H-H2O]+ 470.11500 201.8
[M+HCOO]- 532.11594 227.6
[M+CH3COO]- 546.13159 241.0
[M+Na-2H]- 508.09241 212.8
[M]+ 487.11719 216.7
[M]- 487.11829 216.7
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.