CID 6918151

Englitazone

Structural Information

Molecular Formula
C20H19NO3S
SMILES
C1CC2=C(C=CC(=C2)CC3C(=O)NC(=O)S3)O[C@H]1CC4=CC=CC=C4
InChI
InChI=1S/C20H19NO3S/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13/h1-6,9-10,16,18H,7-8,11-12H2,(H,21,22,23)/t16-,18?/m1/s1
InChIKey
MVDXXGIBARMXSA-PYUWXLGESA-N
Compound name
5-[[(2R)-2-benzyl-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

14724
Patents

353.10855 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11583 181.3
[M+Na]+ 376.09777 194.5
[M+NH4]+ 371.14237 189.7
[M+K]+ 392.07171 186.6
[M-H]- 352.10127 187.9
[M+Na-2H]- 374.08322 187.0
[M]+ 353.10800 185.5
[M]- 353.10910 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe