CID 1283826

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

Structural Information

Molecular Formula
C23H18F3N3O3S
SMILES
COC1=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/C23H18F3N3O3S/c1-31-14-7-3-12(4-8-14)17-11-16(23(24,25)26)18-19(27)20(33-22(18)29-17)21(30)28-13-5-9-15(32-2)10-6-13/h3-11H,27H2,1-2H3,(H,28,30)
InChIKey
XFHSRAWOGLTFHA-UHFFFAOYSA-N
Compound name
3-amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

473.1021 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.109376 209.2
[M+Na]+ 496.091318 219.1
[M-H]- 472.094824 215.5
[M+NH4]+ 491.135923 218.6
[M+K]+ 512.065258 212.2
[M+H-H2O]+ 456.099360 197.7
[M+HCOO]- 518.100301 223.7
[M+CH3COO]- 532.115951 238.1
[M+Na-2H]- 494.076766 208.9
[M]+ 473.10155142 212.1
[M]- 473.10264858 212.1
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.