CID 6478142

Methyl n-[(5e)-5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]carbamate

Structural Information

Molecular Formula
C12H8Cl2N2O3S2
SMILES
COC(=O)NN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)Cl)/SC1=S
InChI
InChI=1S/C12H8Cl2N2O3S2/c1-19-11(18)15-16-10(17)9(21-12(16)20)5-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,15,18)/b9-5+
InChIKey
WXOYSUHCDGDNBG-WEVVVXLNSA-N
Compound name
methyl N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.93533 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.94261 176.5
[M+Na]+ 384.92455 186.6
[M-H]- 360.92805 182.3
[M+NH4]+ 379.96915 191.9
[M+K]+ 400.89849 179.0
[M+H-H2O]+ 344.93259 172.4
[M+HCOO]- 406.93353 179.2
[M+CH3COO]- 420.94918 207.9
[M+Na-2H]- 382.91000 172.0
[M]+ 361.93478 181.1
[M]- 361.93588 181.1
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.