CID 3076474

Brn 4239800

Structural Information

Molecular Formula
C18H20N2O2S4
SMILES
CC1=CC=C(S1)[C@@H]2N(C(=O)CS2)CCN3[C@H](SCC3=O)C4=CC=C(S4)C
InChI
InChI=1S/C18H20N2O2S4/c1-11-3-5-13(25-11)17-19(15(21)9-23-17)7-8-20-16(22)10-24-18(20)14-6-4-12(2)26-14/h3-6,17-18H,7-10H2,1-2H3/t17-,18-/m1/s1
InChIKey
MZVHNWQFFUKNLD-QZTJIDSGSA-N
Compound name
(2R)-2-(5-methylthiophen-2-yl)-3-[2-[(2R)-2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.04077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.04805 192.4
[M+Na]+ 447.02999 200.9
[M+NH4]+ 442.07459 200.4
[M+K]+ 463.00393 194.2
[M-H]- 423.03349 197.5
[M+Na-2H]- 445.01544 194.4
[M]+ 424.04022 196.7
[M]- 424.04132 196.7
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.