CID 1989180

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

Structural Information

Molecular Formula
C21H14F3N3OS
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=CC=C4)N
InChI
InChI=1S/C21H14F3N3OS/c22-21(23,24)14-11-15(12-7-3-1-4-8-12)27-20-16(14)17(25)18(29-20)19(28)26-13-9-5-2-6-10-13/h1-11H,25H2,(H,26,28)
InChIKey
ZAFFDHKYAFDJBZ-UHFFFAOYSA-N
Compound name
3-amino-N,6-diphenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.08096 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.08824 188.6
[M+Na]+ 436.07018 199.4
[M+NH4]+ 431.11478 194.2
[M+K]+ 452.04412 192.6
[M-H]- 412.07368 190.7
[M+Na-2H]- 434.05563 196.0
[M]+ 413.08041 190.9
[M]- 413.08151 190.9
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.