CID 25230266

Msdc 0602

Structural Information

Molecular Formula
C19H17NO5S
SMILES
COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)
InChIKey
YAUMOGALQJYOJQ-UHFFFAOYSA-N
Compound name
5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

502
Patents

371.08273 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09001 185.4
[M+Na]+ 394.07195 192.2
[M-H]- 370.07545 192.8
[M+NH4]+ 389.11655 197.4
[M+K]+ 410.04589 187.3
[M+H-H2O]+ 354.07999 177.3
[M+HCOO]- 416.08093 200.2
[M+CH3COO]- 430.09658 210.9
[M+Na-2H]- 392.05740 182.4
[M]+ 371.08218 188.7
[M]- 371.08328 188.7
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