CID 1876601

420835-58-1

Structural Information

Molecular Formula
C19H11F4N3OS2
SMILES
C1=CC=C(C(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N)F
InChI
InChI=1S/C19H11F4N3OS2/c20-10-4-1-2-5-11(10)25-17(27)16-15(24)14-9(19(21,22)23)8-12(26-18(14)29-16)13-6-3-7-28-13/h1-8H,24H2,(H,25,27)
InChIKey
QGBPYYJRTNJLTA-UHFFFAOYSA-N
Compound name
3-amino-N-(2-fluorophenyl)-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

437.02795 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.03523 189.1
[M+Na]+ 460.01717 196.6
[M+NH4]+ 455.06177 193.7
[M+K]+ 475.99111 191.2
[M-H]- 436.02067 188.9
[M+Na-2H]- 458.00262 193.3
[M]+ 437.02740 190.5
[M]- 437.02850 190.5
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.