CID 6181409

3-hexyl-5-(4-hydroxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H21NO3S2
SMILES
CCCCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)OC)/SC1=S
InChI
InChI=1S/C17H21NO3S2/c1-3-4-5-6-9-18-16(20)15(23-17(18)22)11-12-7-8-13(19)14(10-12)21-2/h7-8,10-11,19H,3-6,9H2,1-2H3/b15-11+
InChIKey
VGNHSROJURPTBL-RVDMUPIBSA-N
Compound name
(5E)-3-hexyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.09628 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10356 184.2
[M+Na]+ 374.08550 193.9
[M+NH4]+ 369.13010 190.6
[M+K]+ 390.05944 185.0
[M-H]- 350.08900 185.7
[M+Na-2H]- 372.07095 185.7
[M]+ 351.09573 186.7
[M]- 351.09683 186.7
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.