CID 211647

Dtxsid70946209

Structural Information

Molecular Formula
C13H15NO3S2
SMILES
CCOC(=O)C1C(N(C(=S)S1)C2=CC=CC=C2)(C)O
InChI
InChI=1S/C13H15NO3S2/c1-3-17-11(15)10-13(2,16)14(12(18)19-10)9-7-5-4-6-8-9/h4-8,10,16H,3H2,1-2H3
InChIKey
RBRCSZJKDLYLID-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.04935 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05663 163.6
[M+Na]+ 320.03857 172.0
[M-H]- 296.04207 167.6
[M+NH4]+ 315.08317 181.6
[M+K]+ 336.01251 167.2
[M+H-H2O]+ 280.04661 158.6
[M+HCOO]- 342.04755 172.9
[M+CH3COO]- 356.06320 195.6
[M+Na-2H]- 318.02402 161.7
[M]+ 297.04880 166.3
[M]- 297.04990 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.