CID 3621986

3-amino-n-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C20H10ClF6N3OS2
SMILES
C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)N
InChI
InChI=1S/C20H10ClF6N3OS2/c21-10-4-3-8(19(22,23)24)6-11(10)29-17(31)16-15(28)14-9(20(25,26)27)7-12(30-18(14)33-16)13-2-1-5-32-13/h1-7H,28H2,(H,29,31)
InChIKey
GOHZWNCTTSIOPZ-UHFFFAOYSA-N
Compound name
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.9858 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.99308 201.7
[M+Na]+ 543.97502 206.4
[M+NH4]+ 539.01962 203.8
[M+K]+ 559.94896 202.0
[M-H]- 519.97852 198.4
[M+Na-2H]- 541.96047 203.2
[M]+ 520.98525 201.8
[M]- 520.98635 201.8
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.