CID 3074415

4-thiazolidinone, 3,3'-(1,3-propanediyl)bis(2-(2-thienyl)-, (r*,r*)-(+-)-

Structural Information

Molecular Formula
C17H18N2O2S4
SMILES
C1C(=O)N([C@H](S1)C2=CC=CS2)CCCN3[C@H](SCC3=O)C4=CC=CS4
InChI
InChI=1S/C17H18N2O2S4/c20-14-10-24-16(12-4-1-8-22-12)18(14)6-3-7-19-15(21)11-25-17(19)13-5-2-9-23-13/h1-2,4-5,8-9,16-17H,3,6-7,10-11H2/t16-,17-/m1/s1
InChIKey
RHNQPOCHVDDARC-IAGOWNOFSA-N
Compound name
(2R)-3-[3-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.02512 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.03240 185.8
[M+Na]+ 433.01434 193.9
[M+NH4]+ 428.05894 194.0
[M+K]+ 448.98828 187.2
[M-H]- 409.01784 190.9
[M+Na-2H]- 430.99979 188.5
[M]+ 410.02457 189.9
[M]- 410.02567 189.9
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.