CID 3792189

6-[4-(allyloxy)phenyl]-3-amino-n-(4-ethoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C26H22F3N3O3S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=C(C=C4)OCC=C)N
InChI
InChI=1S/C26H22F3N3O3S/c1-3-13-35-18-9-5-15(6-10-18)20-14-19(26(27,28)29)21-22(30)23(36-25(21)32-20)24(33)31-16-7-11-17(12-8-16)34-4-2/h3,5-12,14H,1,4,13,30H2,2H3,(H,31,33)
InChIKey
SLAWCZPSWBQGPV-UHFFFAOYSA-N
Compound name
3-amino-N-(4-ethoxyphenyl)-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.1334 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.14068 217.4
[M+Na]+ 536.12262 226.8
[M+NH4]+ 531.16722 220.8
[M+K]+ 552.09656 220.1
[M-H]- 512.12612 218.3
[M+Na-2H]- 534.10807 222.2
[M]+ 513.13285 219.1
[M]- 513.13395 219.1
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.