CID 3621983

3-amino-n-(3,4-di-cl-ph)-6-ph-4-(tri-f-me)thieno(2,3-b)pyridine-2-carboxamide

Structural Information

Molecular Formula
C21H12Cl2F3N3OS
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC(=C(C=C4)Cl)Cl)N
InChI
InChI=1S/C21H12Cl2F3N3OS/c22-13-7-6-11(8-14(13)23)28-19(30)18-17(27)16-12(21(24,25)26)9-15(29-20(16)31-18)10-4-2-1-3-5-10/h1-9H,27H2,(H,28,30)
InChIKey
WXQYQHZOIXIPGM-UHFFFAOYSA-N
Compound name
3-amino-N-(3,4-dichlorophenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.00302 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.01030 199.7
[M+Na]+ 503.99224 212.0
[M+NH4]+ 499.03684 205.5
[M+K]+ 519.96618 204.2
[M-H]- 479.99574 201.8
[M+Na-2H]- 501.97769 206.4
[M]+ 481.00247 202.9
[M]- 481.00357 202.9
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.