CID 6518752

5-(2h-chromen-3-ylmethylene)-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C21H17NO2S2
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC4=CC=CC=C4OC3)/SC2=S
InChI
InChI=1S/C21H17NO2S2/c1-14-6-8-15(9-7-14)12-22-20(23)19(26-21(22)25)11-16-10-17-4-2-3-5-18(17)24-13-16/h2-11H,12-13H2,1H3/b19-11-
InChIKey
GUEISZAAYPIEKR-ODLFYWEKSA-N
Compound name
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.07007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07735 187.5
[M+Na]+ 402.05929 197.3
[M-H]- 378.06279 197.3
[M+NH4]+ 397.10389 200.9
[M+K]+ 418.03323 190.2
[M+H-H2O]+ 362.06733 180.8
[M+HCOO]- 424.06827 196.6
[M+CH3COO]- 438.08392 197.7
[M+Na-2H]- 400.04474 185.1
[M]+ 379.06952 189.2
[M]- 379.07062 189.2
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.