CID 3804044

[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](4-methylphenyl)methanone

Structural Information

Molecular Formula
C23H17F3N2OS
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)C4=CC=C(C=C4)C)N
InChI
InChI=1S/C23H17F3N2OS/c1-12-3-7-14(8-4-12)17-11-16(23(24,25)26)18-19(27)21(30-22(18)28-17)20(29)15-9-5-13(2)6-10-15/h3-11H,27H2,1-2H3
InChIKey
UWOJKESNXOLVGK-UHFFFAOYSA-N
Compound name
[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.10138 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10866 199.0
[M+Na]+ 449.09060 211.2
[M+NH4]+ 444.13520 204.7
[M+K]+ 465.06454 203.6
[M-H]- 425.09410 201.0
[M+Na-2H]- 447.07605 205.4
[M]+ 426.10083 201.7
[M]- 426.10193 201.7
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.