CID 16429305

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

Structural Information

Molecular Formula
C19H21NO2S2
SMILES
CCCCCCN1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2)/SC1=S
InChI
InChI=1S/C19H21NO2S2/c1-2-3-4-7-10-20-18(21)17(24-19(20)23)12-14-11-15-8-5-6-9-16(15)22-13-14/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3/b17-12-
InChIKey
UAAMYIDJNKYITJ-ATVHPVEESA-N
Compound name
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.10138 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10866 182.9
[M+Na]+ 382.09060 191.0
[M-H]- 358.09410 188.9
[M+NH4]+ 377.13520 197.2
[M+K]+ 398.06454 184.6
[M+H-H2O]+ 342.09864 176.6
[M+HCOO]- 404.09958 190.9
[M+CH3COO]- 418.11523 192.6
[M+Na-2H]- 380.07605 179.8
[M]+ 359.10083 185.9
[M]- 359.10193 185.9
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.