CID 3076473

Brn 4239405

Structural Information

Molecular Formula
C16H16N2O2S4
SMILES
C1C(=O)N([C@H](S1)C2=CC=CS2)CCN3[C@H](SCC3=O)C4=CC=CS4
InChI
InChI=1S/C16H16N2O2S4/c19-13-9-23-15(11-3-1-7-21-11)17(13)5-6-18-14(20)10-24-16(18)12-4-2-8-22-12/h1-4,7-8,15-16H,5-6,9-10H2/t15-,16-/m1/s1
InChIKey
QOECHTBSDVADOD-HZPDHXFCSA-N
Compound name
(2R)-3-[2-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.00946 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.01674 193.2
[M+Na]+ 418.99868 206.4
[M-H]- 395.00218 204.4
[M+NH4]+ 414.04328 210.8
[M+K]+ 434.97262 200.6
[M+H-H2O]+ 379.00672 192.0
[M+HCOO]- 441.00766 198.0
[M+CH3COO]- 455.02331 203.8
[M+Na-2H]- 416.98413 184.7
[M]+ 396.00891 195.8
[M]- 396.01001 195.8
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.