CID 1990776

420835-59-2

Structural Information

Molecular Formula
C20H14F3N3OS2
SMILES
CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N
InChI
InChI=1S/C20H14F3N3OS2/c1-10-4-2-5-11(8-10)25-18(27)17-16(24)15-12(20(21,22)23)9-13(26-19(15)29-17)14-6-3-7-28-14/h2-9H,24H2,1H3,(H,25,27)
InChIKey
FLXFBFNREGXXAL-UHFFFAOYSA-N
Compound name
3-amino-N-(3-methylphenyl)-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

433.05304 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06032 192.0
[M+Na]+ 456.04226 200.9
[M+NH4]+ 451.08686 197.7
[M+K]+ 472.01620 194.9
[M-H]- 432.04576 193.5
[M+Na-2H]- 454.02771 197.2
[M]+ 433.05249 194.3
[M]- 433.05359 194.3
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.