CID 3051817

3-(2-(3,4-dimethoxyphenyl)ethyl)-2-((2-methoxyphenyl)imino)-4-oxo-5-thiazolidineacetic acid

Structural Information

Molecular Formula
C22H24N2O6S
SMILES
COC1=C(C=C(C=C1)CCN2C(=O)C(SC2=NC3=CC=CC=C3OC)CC(=O)O)OC
InChI
InChI=1S/C22H24N2O6S/c1-28-16-7-5-4-6-15(16)23-22-24(21(27)19(31-22)13-20(25)26)11-10-14-8-9-17(29-2)18(12-14)30-3/h4-9,12,19H,10-11,13H2,1-3H3,(H,25,26)
InChIKey
UTFJUDSZIRJUKL-UHFFFAOYSA-N
Compound name
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.1355 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14278 205.9
[M+Na]+ 467.12472 216.0
[M+NH4]+ 462.16932 210.3
[M+K]+ 483.09866 210.4
[M-H]- 443.12822 209.1
[M+Na-2H]- 465.11017 210.1
[M]+ 444.13495 208.3
[M]- 444.13605 208.3
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.