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 194.6
[M+Na]+ 456.04226 206.3
[M-H]- 432.04576 201.4
[M+NH4]+ 451.08686 208.5
[M+K]+ 472.01620 198.1
[M+H-H2O]+ 416.05030 186.3
[M+HCOO]- 478.05124 206.0
[M+CH3COO]- 492.06689 204.5
[M+Na-2H]- 454.02771 193.0
[M]+ 433.05249 196.5
[M]- 433.05359 196.5
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.