CID 6478145

N-[(5z)-5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-n-methyl-benzamide

Structural Information

Molecular Formula
C18H12Cl2N2O2S2
SMILES
CN(C(=O)C1=CC=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C18H12Cl2N2O2S2/c1-21(16(23)12-5-3-2-4-6-12)22-17(24)15(26-18(22)25)10-11-7-8-13(19)14(20)9-11/h2-10H,1H3/b15-10-
InChIKey
SGSGXUITRQOGKN-GDNBJRDFSA-N
Compound name
N-[(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.9717 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.97898 194.4
[M+Na]+ 444.96092 204.0
[M-H]- 420.96442 204.2
[M+NH4]+ 440.00552 207.8
[M+K]+ 460.93486 195.8
[M+H-H2O]+ 404.96896 188.6
[M+HCOO]- 466.96990 197.1
[M+CH3COO]- 480.98555 204.0
[M+Na-2H]- 442.94637 188.9
[M]+ 421.97115 199.3
[M]- 421.97225 199.3
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.