CID 6447754

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

Structural Information

Molecular Formula
C17H19NO4S
SMILES
CCCOC1=C(C=CC(=C1)/C=C/C2=NC(=CS2)CC(=O)O)OC
InChI
InChI=1S/C17H19NO4S/c1-3-8-22-15-9-12(4-6-14(15)21-2)5-7-16-18-13(11-23-16)10-17(19)20/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,20)/b7-5+
InChIKey
JZILMHVEJUTWGS-FNORWQNLSA-N
Compound name
2-[2-[(E)-2-(4-methoxy-3-propoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1035 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11078 179.3
[M+Na]+ 356.09272 190.1
[M+NH4]+ 351.13732 185.2
[M+K]+ 372.06666 183.7
[M-H]- 332.09622 180.5
[M+Na-2H]- 354.07817 183.3
[M]+ 333.10295 181.4
[M]- 333.10405 181.4
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.