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]+ 474.10938 205.8
[M+Na]+ 496.09132 215.8
[M+NH4]+ 491.13592 209.9
[M+K]+ 512.06526 209.8
[M-H]- 472.09482 207.0
[M+Na-2H]- 494.07677 211.3
[M]+ 473.10155 207.7
[M]- 473.10265 207.7
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.