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 196.5
[M+Na]+ 433.01434 209.3
[M-H]- 409.01784 207.5
[M+NH4]+ 428.05894 213.6
[M+K]+ 448.98828 203.3
[M+H-H2O]+ 393.02238 195.2
[M+HCOO]- 455.02332 201.1
[M+CH3COO]- 469.03897 206.7
[M+Na-2H]- 430.99979 187.8
[M]+ 410.02457 199.4
[M]- 410.02567 199.4
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.