CID 3063472

Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(2,2,2-trifluoroethyl)-1h-pyrrol-2-yl)-

Structural Information

Molecular Formula
C23H19F3N2O2S
SMILES
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(F)(F)F)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H19F3N2O2S/c1-29-17-9-5-15(6-10-17)20-21(16-7-11-18(30-2)12-8-16)31-22(27-20)19-4-3-13-28(19)14-23(24,25)26/h3-13H,14H2,1-2H3
InChIKey
MERCFOKQWJJQMA-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

444.11194 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11922 202.8
[M+Na]+ 467.10116 214.5
[M-H]- 443.10466 211.5
[M+NH4]+ 462.14576 214.1
[M+K]+ 483.07510 207.4
[M+H-H2O]+ 427.10920 191.5
[M+HCOO]- 489.11014 218.3
[M+CH3COO]- 503.12579 213.0
[M+Na-2H]- 465.08661 199.2
[M]+ 444.11139 207.8
[M]- 444.11249 207.8
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

patents stripe