CID 3284448

3-amino-6-(4-butoxyphenyl)-n-(4-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C25H21F4N3O2S
SMILES
CCCCOC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)F)N
InChI
InChI=1S/C25H21F4N3O2S/c1-2-3-12-34-17-10-4-14(5-11-17)19-13-18(25(27,28)29)20-21(30)22(35-24(20)32-19)23(33)31-16-8-6-15(26)7-9-16/h4-11,13H,2-3,12,30H2,1H3,(H,31,33)
InChIKey
XOWGMDMIORVCMJ-UHFFFAOYSA-N
Compound name
3-amino-6-(4-butoxyphenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.12906 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.13634 210.3
[M+Na]+ 526.11828 218.7
[M+NH4]+ 521.16288 213.5
[M+K]+ 542.09222 212.3
[M-H]- 502.12178 210.1
[M+Na-2H]- 524.10373 214.6
[M]+ 503.12851 211.5
[M]- 503.12961 211.5
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.