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 192.4
[M+Na]+ 436.07018 202.5
[M-H]- 412.07368 198.5
[M+NH4]+ 431.11478 204.1
[M+K]+ 452.04412 194.2
[M+H-H2O]+ 396.07822 181.3
[M+HCOO]- 458.07916 207.5
[M+CH3COO]- 472.09481 201.8
[M+Na-2H]- 434.05563 194.0
[M]+ 413.08041 191.3
[M]- 413.08151 191.3
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.