CID 3074740

2-((2-hydroxyphenoxy)methyl)-3-((methylthio)acetyl)thiazolidine

Structural Information

Molecular Formula
C13H17NO3S2
SMILES
CSCC(=O)N1CCSC1COC2=CC=CC=C2O
InChI
InChI=1S/C13H17NO3S2/c1-18-9-12(16)14-6-7-19-13(14)8-17-11-5-3-2-4-10(11)15/h2-5,13,15H,6-9H2,1H3
InChIKey
DHWWSZKPGBDKMU-UHFFFAOYSA-N
Compound name
1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-methylsulfanylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.06497 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07225 166.0
[M+Na]+ 322.05419 172.6
[M-H]- 298.05769 169.6
[M+NH4]+ 317.09879 181.8
[M+K]+ 338.02813 168.1
[M+H-H2O]+ 282.06223 159.7
[M+HCOO]- 344.06317 175.2
[M+CH3COO]- 358.07882 195.7
[M+Na-2H]- 320.03964 162.8
[M]+ 299.06442 168.5
[M]- 299.06552 168.5
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

No patent data available for this compound.