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 192.0
[M+Na]+ 460.01717 204.2
[M-H]- 436.02067 197.6
[M+NH4]+ 455.06177 205.7
[M+K]+ 475.99111 195.7
[M+H-H2O]+ 420.02521 182.9
[M+HCOO]- 482.02615 202.8
[M+CH3COO]- 496.04180 201.7
[M+Na-2H]- 458.00262 190.4
[M]+ 437.02740 192.7
[M]- 437.02850 192.7
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.