CID 2742360

Maybridge1_008377

Structural Information

Molecular Formula
C23H17F3N2OS
SMILES
CC1=CC(=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F)C
InChI
InChI=1S/C23H17F3N2OS/c1-14-3-9-19(15(2)11-14)20-13-30-22(28-20)16-4-7-18(8-5-16)29-21-10-6-17(12-27-21)23(24,25)26/h3-13H,1-2H3
InChIKey
TZBFAVHXBMDFJY-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

426.10138 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.108656 199.8
[M+Na]+ 449.090598 210.8
[M-H]- 425.094104 207.3
[M+NH4]+ 444.135203 209.6
[M+K]+ 465.064538 202.3
[M+H-H2O]+ 409.098640 187.2
[M+HCOO]- 471.099581 212.6
[M+CH3COO]- 485.115231 209.1
[M+Na-2H]- 447.076046 197.8
[M]+ 426.10083142 200.8
[M]- 426.10192858 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.