CID 3074418

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

Structural Information

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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11006 191.8
[M+Na]+ 423.09200 200.5
[M-H]- 399.09550 199.7
[M+NH4]+ 418.13660 202.1
[M+K]+ 439.06594 193.8
[M+H-H2O]+ 383.10004 183.5
[M+HCOO]- 445.10098 199.7
[M+CH3COO]- 459.11663 200.5
[M+Na-2H]- 421.07745 185.2
[M]+ 400.10223 192.6
[M]- 400.10333 192.6
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.