CID 3076471

Brn 4239404

Structural Information

Molecular Formula
C16H16N2O4S2
SMILES
C1C(=O)N([C@H](S1)C2=CC=CO2)CCN3[C@H](SCC3=O)C4=CC=CO4
InChI
InChI=1S/C16H16N2O4S2/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
OSTZLKXUWQQKPD-HZPDHXFCSA-N
Compound name
(2R)-2-(furan-2-yl)-3-[2-[(2R)-2-(furan-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

364.05515 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06243 182.2
[M+Na]+ 387.04437 193.4
[M-H]- 363.04787 196.4
[M+NH4]+ 382.08897 198.4
[M+K]+ 403.01831 192.9
[M+H-H2O]+ 347.05241 180.3
[M+HCOO]- 409.05335 196.2
[M+CH3COO]- 423.06900 194.9
[M+Na-2H]- 385.02982 174.4
[M]+ 364.05460 189.0
[M]- 364.05570 189.0
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.