CID 3074416

4-thiazolidinone, 3,3'-(1,3-propanediyl)bis(2-(5-methyl-2-thienyl)-, (r*,r*)-(+-)-

Structural Information

Molecular Formula
C19H22N2O2S4
SMILES
CC1=CC=C(S1)[C@@H]2N(C(=O)CS2)CCCN3[C@H](SCC3=O)C4=CC=C(S4)C
InChI
InChI=1S/C19H22N2O2S4/c1-12-4-6-14(26-12)18-20(16(22)10-24-18)8-3-9-21-17(23)11-25-19(21)15-7-5-13(2)27-15/h4-7,18-19H,3,8-11H2,1-2H3/t18-,19-/m1/s1
InChIKey
XYJPHEYGWRNSIM-RTBURBONSA-N
Compound name
(2R)-2-(5-methylthiophen-2-yl)-3-[3-[(2R)-2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.05643 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.06371 195.7
[M+Na]+ 461.04565 204.0
[M+NH4]+ 456.09025 203.6
[M+K]+ 477.01959 197.1
[M-H]- 437.04915 200.8
[M+Na-2H]- 459.03110 197.6
[M]+ 438.05588 199.9
[M]- 438.05698 199.9
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.