CID 473193

2-[3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-(4-hydroxyphenyl)-4-oxo-thiazolidin-5-yl]acetic acid

Structural Information

Molecular Formula
C21H23NO5S
SMILES
CC1=CC(=C(C=C1N2C(SC(C2=O)CC(=O)O)C3=CC=C(C=C3)O)C(C)C)O
InChI
InChI=1S/C21H23NO5S/c1-11(2)15-9-16(12(3)8-17(15)24)22-20(27)18(10-19(25)26)28-21(22)13-4-6-14(23)7-5-13/h4-9,11,18,21,23-24H,10H2,1-3H3,(H,25,26)
InChIKey
UZTBBPSCZAMTFG-UHFFFAOYSA-N
Compound name
2-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1297 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13698 193.3
[M+Na]+ 424.11892 200.0
[M-H]- 400.12242 198.6
[M+NH4]+ 419.16352 203.5
[M+K]+ 440.09286 194.6
[M+H-H2O]+ 384.12696 186.4
[M+HCOO]- 446.12790 203.0
[M+CH3COO]- 460.14355 218.1
[M+Na-2H]- 422.10437 185.9
[M]+ 401.12915 195.2
[M]- 401.13025 195.2
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.