CID 6531076

(5z)-5-(2h-chromen-3-ylmethylene)-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C22H19NO3S2
SMILES
COC1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CC4=CC=CC=C4OC3)/SC2=S
InChI
InChI=1S/C22H19NO3S2/c1-25-18-8-6-15(7-9-18)10-11-23-21(24)20(28-22(23)27)13-16-12-17-4-2-3-5-19(17)26-14-16/h2-9,12-13H,10-11,14H2,1H3/b20-13-
InChIKey
IYZKZFASVXTOLE-MOSHPQCFSA-N
Compound name
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.08063 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08791 192.6
[M+Na]+ 432.06985 206.5
[M+NH4]+ 427.11445 201.0
[M+K]+ 448.04379 195.9
[M-H]- 408.07335 199.7
[M+Na-2H]- 430.05530 198.4
[M]+ 409.08008 197.7
[M]- 409.08118 197.7
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.