CID 1894805

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

Structural Information

Molecular Formula
C22H15ClF3N3O2S
SMILES
COC1=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/C22H15ClF3N3O2S/c1-31-14-8-6-13(7-9-14)28-20(30)19-18(27)17-15(22(24,25)26)10-16(29-21(17)32-19)11-2-4-12(23)5-3-11/h2-10H,27H2,1H3,(H,28,30)
InChIKey
QWNDLQJMBBARSY-UHFFFAOYSA-N
Compound name
3-amino-6-(4-chlorophenyl)-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

477.05255 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.05983 207.5
[M+Na]+ 500.04177 219.0
[M-H]- 476.04527 214.0
[M+NH4]+ 495.08637 218.0
[M+K]+ 516.01571 210.3
[M+H-H2O]+ 460.04981 197.1
[M+HCOO]- 522.05075 217.9
[M+CH3COO]- 536.06640 216.4
[M+Na-2H]- 498.02722 207.1
[M]+ 477.05200 211.5
[M]- 477.05310 211.5
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.