CID 3074417

4-thiazolidinone, 3,3'-(1,3-propanediyl)bis(2-(2-pyridinyl)-, (r*,s*)-

Structural Information

Molecular Formula
C19H20N4O2S2
SMILES
C1C(=O)N([C@H](S1)C2=CC=CC=N2)CCCN3[C@H](SCC3=O)C4=CC=CC=N4
InChI
InChI=1S/C19H20N4O2S2/c24-16-12-26-18(14-6-1-3-8-20-14)22(16)10-5-11-23-17(25)13-27-19(23)15-7-2-4-9-21-15/h1-4,6-9,18-19H,5,10-13H2/t18-,19-/m1/s1
InChIKey
IQKLQXKIYVZIHX-RTBURBONSA-N
Compound name
(2R)-3-[3-[(2R)-4-oxo-2-pyridin-2-yl-1,3-thiazolidin-3-yl]propyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.10278 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11006 189.5
[M+Na]+ 423.09200 201.4
[M+NH4]+ 418.13660 196.5
[M+K]+ 439.06594 194.0
[M-H]- 399.09550 194.4
[M+Na-2H]- 421.07745 195.8
[M]+ 400.10223 193.4
[M]- 400.10333 193.4
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.