CID 6078884

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

Structural Information

Molecular Formula
C16H19NO3S2
SMILES
CCCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)OC)/SC1=S
InChI
InChI=1S/C16H19NO3S2/c1-3-4-5-8-17-15(19)14(22-16(17)21)10-11-6-7-12(18)13(9-11)20-2/h6-7,9-10,18H,3-5,8H2,1-2H3/b14-10+
InChIKey
VQGHRWDNIWMIPB-GXDHUFHOSA-N
Compound name
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.08063 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08791 176.2
[M+Na]+ 360.06985 184.7
[M-H]- 336.07335 180.2
[M+NH4]+ 355.11445 191.1
[M+K]+ 376.04379 177.6
[M+H-H2O]+ 320.07789 170.1
[M+HCOO]- 382.07883 185.6
[M+CH3COO]- 396.09448 205.7
[M+Na-2H]- 358.05530 170.8
[M]+ 337.08008 180.0
[M]- 337.08118 180.0
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.