CID 6450649

2-(2-(4-fluorophenyl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

Structural Information

Molecular Formula
C20H16FNO2S
SMILES
CC1=CC=C(C=C1)C2=C(SC(=N2)/C=C/C3=CC=C(C=C3)F)CC(=O)O
InChI
InChI=1S/C20H16FNO2S/c1-13-2-7-15(8-3-13)20-17(12-19(23)24)25-18(22-20)11-6-14-4-9-16(21)10-5-14/h2-11H,12H2,1H3,(H,23,24)/b11-6+
InChIKey
WVAZJUZGIVWRNI-IZZDOVSWSA-N
Compound name
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0886 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09588 184.5
[M+Na]+ 376.07782 198.0
[M+NH4]+ 371.12242 191.5
[M+K]+ 392.05176 189.6
[M-H]- 352.08132 188.1
[M+Na-2H]- 374.06327 191.8
[M]+ 353.08805 187.9
[M]- 353.08915 187.9
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.