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 209.2
[M+Na]+ 496.09132 219.1
[M-H]- 472.09482 215.5
[M+NH4]+ 491.13592 218.6
[M+K]+ 512.06526 212.2
[M+H-H2O]+ 456.09936 197.7
[M+HCOO]- 518.10030 223.7
[M+CH3COO]- 532.11595 238.1
[M+Na-2H]- 494.07677 208.9
[M]+ 473.10155 212.1
[M]- 473.10265 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.