CID 1521944

4-me-n-(5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)benzamide

Structural Information

Molecular Formula
C19H16N2O2S2
SMILES
CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H16N2O2S2/c1-12-3-7-14(8-4-12)11-16-18(23)21(19(24)25-16)20-17(22)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,22)/b16-11+
InChIKey
RSKBVVNEMATDBQ-LFIBNONCSA-N
Compound name
4-methyl-N-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0653 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.07258 185.0
[M+Na]+ 391.05452 196.8
[M+NH4]+ 386.09912 192.4
[M+K]+ 407.02846 187.5
[M-H]- 367.05802 190.2
[M+Na-2H]- 389.03997 191.1
[M]+ 368.06475 189.0
[M]- 368.06585 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.