CID 3074742

2-((2-methoxyphenoxy)methyl)-3-((methylsulfonyl)acetyl)thiazolidine 1-oxide

Structural Information

Molecular Formula
C14H19NO6S2
SMILES
COC1=CC=CC=C1OCC2N(CCS2=O)C(=O)CS(=O)(=O)C
InChI
InChI=1S/C14H19NO6S2/c1-20-11-5-3-4-6-12(11)21-9-14-15(7-8-22(14)17)13(16)10-23(2,18)19/h3-6,14H,7-10H2,1-2H3
InChIKey
MNRDUISQBAYENJ-UHFFFAOYSA-N
Compound name
1-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2-methylsulfonylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.06537 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07265 180.9
[M+Na]+ 384.05459 188.1
[M-H]- 360.05809 186.0
[M+NH4]+ 379.09919 194.5
[M+K]+ 400.02853 184.6
[M+H-H2O]+ 344.06263 174.6
[M+HCOO]- 406.06357 190.7
[M+CH3COO]- 420.07922 206.8
[M+Na-2H]- 382.04004 179.0
[M]+ 361.06482 187.4
[M]- 361.06592 187.4
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.