CID 6366166

4-thiazolidinone, 5-((4-hydroxyphenyl)methylene)-3-(((2-methoxyphenyl)amino)methyl)-2-thioxo-

Structural Information

Molecular Formula
C18H16N2O3S2
SMILES
COC1=CC=CC=C1NCN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S
InChI
InChI=1S/C18H16N2O3S2/c1-23-15-5-3-2-4-14(15)19-11-20-17(22)16(25-18(20)24)10-12-6-8-13(21)9-7-12/h2-10,19,21H,11H2,1H3/b16-10+
InChIKey
IBPPBNXBNFOQMW-MHWRWJLKSA-N
Compound name
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(2-methoxyanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.06024 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.067516 184.3
[M+Na]+ 395.049458 192.6
[M-H]- 371.052964 191.5
[M+NH4]+ 390.094063 197.0
[M+K]+ 411.023398 184.5
[M+H-H2O]+ 355.057500 177.1
[M+HCOO]- 417.058441 195.7
[M+CH3COO]- 431.074091 212.6
[M+Na-2H]- 393.034906 181.4
[M]+ 372.05969142 185.7
[M]- 372.06078858 185.7
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.