CID 6447753

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

Structural Information

Molecular Formula
C17H19NO4S
SMILES
CCCOC1=C(C=C(C=C1)/C=C/C2=NC(=CS2)CC(=O)O)OC
InChI
InChI=1S/C17H19NO4S/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/h4-7,9,11H,3,8,10H2,1-2H3,(H,19,20)/b7-5+
InChIKey
SSWDMHXZOFDNED-FNORWQNLSA-N
Compound name
2-[2-[(E)-2-(3-methoxy-4-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 177.8
[M+Na]+ 356.09272 185.5
[M-H]- 332.09622 182.3
[M+NH4]+ 351.13732 192.2
[M+K]+ 372.06666 180.9
[M+H-H2O]+ 316.10076 170.4
[M+HCOO]- 378.10170 194.4
[M+CH3COO]- 392.11735 204.8
[M+Na-2H]- 354.07817 175.5
[M]+ 333.10295 184.5
[M]- 333.10405 184.5
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.