CID 46937057

5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine

Structural Information

Molecular Formula
C14H10Cl2N2O3S4
SMILES
C1=CSC(=C1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-6,11,17H,7H2/t11-/m1/s1
InChIKey
GAOOBYJHWAKZKU-LLVKDONJSA-N
Compound name
N-[(5R)-5-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

451.89514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.90242 205.4
[M+Na]+ 474.88436 216.0
[M-H]- 450.88786 212.8
[M+NH4]+ 469.92896 218.3
[M+K]+ 490.85830 205.8
[M+H-H2O]+ 434.89240 203.0
[M+HCOO]- 496.89334 199.1
[M+CH3COO]- 510.90899 212.9
[M+Na-2H]- 472.86981 202.2
[M]+ 451.89459 207.3
[M]- 451.89569 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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