CID 6447751

2-(4-(allyloxy)-3-methoxystyryl)thiazole-4-acetic acid

Structural Information

Molecular Formula
C17H17NO4S
SMILES
COC1=C(C=CC(=C1)/C=C/C2=NC(=CS2)CC(=O)O)OCC=C
InChI
InChI=1S/C17H17NO4S/c1-3-8-22-14-6-4-12(9-15(14)21-2)5-7-16-18-13(11-23-16)10-17(19)20/h3-7,9,11H,1,8,10H2,2H3,(H,19,20)/b7-5+
InChIKey
UTILCFGNDYJVKB-FNORWQNLSA-N
Compound name
2-[2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09511 178.8
[M+Na]+ 354.07705 189.6
[M+NH4]+ 349.12165 184.5
[M+K]+ 370.05099 183.2
[M-H]- 330.08055 179.8
[M+Na-2H]- 352.06250 182.7
[M]+ 331.08728 180.8
[M]- 331.08838 180.8
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

No patent data available for this compound.