CID 6447746

2-((4-methoxy-3-propoxy)styryl)thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C16H17NO4S
SMILES
CCCOC1=C(C=CC(=C1)/C=C/C2=NC(=CS2)C(=O)O)OC
InChI
InChI=1S/C16H17NO4S/c1-3-8-21-14-9-11(4-6-13(14)20-2)5-7-15-17-12(10-22-15)16(18)19/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)/b7-5+
InChIKey
XIYSLFKONUMZFC-FNORWQNLSA-N
Compound name
2-[(E)-2-(4-methoxy-3-propoxyphenyl)ethenyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.08783 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09511 174.9
[M+Na]+ 342.07705 185.9
[M+NH4]+ 337.12165 181.0
[M+K]+ 358.05099 179.8
[M-H]- 318.08055 176.3
[M+Na-2H]- 340.06250 179.2
[M]+ 319.08728 177.1
[M]- 319.08838 177.1
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.