CID 6450670

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

Structural Information

Molecular Formula
C20H16FNO3S
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H16FNO3S/c1-25-16-9-2-13(3-10-16)4-11-18-22-20(17(26-18)12-19(23)24)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,24)/b11-4+
InChIKey
HNGYSXHJRHQWBB-NYYWCZLTSA-N
Compound name
2-[4-(4-fluorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0835 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09078 185.4
[M+Na]+ 392.07272 194.3
[M-H]- 368.07622 192.1
[M+NH4]+ 387.11732 198.1
[M+K]+ 408.04666 187.5
[M+H-H2O]+ 352.08076 176.3
[M+HCOO]- 414.08170 201.2
[M+CH3COO]- 428.09735 211.5
[M+Na-2H]- 390.05817 182.6
[M]+ 369.08295 188.6
[M]- 369.08405 188.6
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.