CID 6475268

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

Structural Information

Molecular Formula
C23H25NO4S
SMILES
CC1=CC(=C(C=C1N2C(SC(C2=O)CC(=O)O)/C=C/C3=CC=CC=C3)C(C)C)O
InChI
InChI=1S/C23H25NO4S/c1-14(2)17-12-18(15(3)11-19(17)25)24-21(10-9-16-7-5-4-6-8-16)29-20(23(24)28)13-22(26)27/h4-12,14,20-21,25H,13H2,1-3H3,(H,26,27)/b10-9+
InChIKey
ZRAMQUQQHMZMRK-MDZDMXLPSA-N
Compound name
2-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.15042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15770 198.9
[M+Na]+ 434.13964 205.0
[M-H]- 410.14314 204.9
[M+NH4]+ 429.18424 209.2
[M+K]+ 450.11358 198.5
[M+H-H2O]+ 394.14768 191.3
[M+HCOO]- 456.14862 209.5
[M+CH3COO]- 470.16427 221.1
[M+Na-2H]- 432.12509 191.1
[M]+ 411.14987 200.5
[M]- 411.15097 200.5
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.