CID 6450683

4-(4-methylphenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-5-thiazoleacetic acid

Structural Information

Molecular Formula
C23H23NO5S
SMILES
CC1=CC=C(C=C1)C2=C(SC(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)CC(=O)O
InChI
InChI=1S/C23H23NO5S/c1-14-5-8-16(9-6-14)22-19(13-21(25)26)30-20(24-22)10-7-15-11-17(27-2)23(29-4)18(12-15)28-3/h5-12H,13H2,1-4H3,(H,25,26)/b10-7+
InChIKey
OEZPLOPGAQSTNZ-JXMROGBWSA-N
Compound name
2-[4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1297 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13698 201.7
[M+Na]+ 448.11892 210.0
[M-H]- 424.12242 209.8
[M+NH4]+ 443.16352 212.3
[M+K]+ 464.09286 204.7
[M+H-H2O]+ 408.12696 193.0
[M+HCOO]- 470.12790 217.6
[M+CH3COO]- 484.14355 224.4
[M+Na-2H]- 446.10437 197.1
[M]+ 425.12915 210.4
[M]- 425.13025 210.4
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.