CID 9998453

103181-92-6

Structural Information

Molecular Formula
C15H19NO5S2
SMILES
CC(=O)SCC(=O)N1CCS(=O)C1COC2=CC=CC=C2OC
InChI
InChI=1S/C15H19NO5S2/c1-11(17)22-10-14(18)16-7-8-23(19)15(16)9-21-13-6-4-3-5-12(13)20-2/h3-6,15H,7-10H2,1-2H3
InChIKey
NHXCACWZNHILKP-UHFFFAOYSA-N
Compound name
S-[2-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.07047 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07775 180.4
[M+Na]+ 380.05969 186.8
[M-H]- 356.06319 185.3
[M+NH4]+ 375.10429 194.3
[M+K]+ 396.03363 183.2
[M+H-H2O]+ 340.06773 173.7
[M+HCOO]- 402.06867 190.0
[M+CH3COO]- 416.08432 208.0
[M+Na-2H]- 378.04514 175.7
[M]+ 357.06992 186.4
[M]- 357.07102 186.4
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

No patent data available for this compound.