CID 1860051

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

Structural Information

Molecular Formula
C23H17ClF3N3O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=C(C=C4)Cl)N
InChI
InChI=1S/C23H17ClF3N3O2S/c1-2-32-15-9-7-14(8-10-15)29-21(31)20-19(28)18-16(23(25,26)27)11-17(30-22(18)33-20)12-3-5-13(24)6-4-12/h3-11H,2,28H2,1H3,(H,29,31)
InChIKey
IDSQVLKTPSWDKR-UHFFFAOYSA-N
Compound name
3-amino-6-(4-chlorophenyl)-N-(4-ethoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.0682 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.07548 207.0
[M+Na]+ 514.05742 218.1
[M+NH4]+ 509.10202 211.9
[M+K]+ 530.03136 210.9
[M-H]- 490.06092 208.7
[M+Na-2H]- 512.04287 213.0
[M]+ 491.06765 209.6
[M]- 491.06875 209.6
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.