CID 16429302

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

Structural Information

Molecular Formula
C16H13NO2S2
SMILES
C=CCN1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2)/SC1=S
InChI
InChI=1S/C16H13NO2S2/c1-2-7-17-15(18)14(21-16(17)20)9-11-8-12-5-3-4-6-13(12)19-10-11/h2-6,8-9H,1,7,10H2/b14-9-
InChIKey
HZVOTUBLILWAID-ZROIWOOFSA-N
Compound name
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.03876 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04604 170.8
[M+Na]+ 338.02798 183.1
[M+NH4]+ 333.07258 179.2
[M+K]+ 354.00192 173.3
[M-H]- 314.03148 175.4
[M+Na-2H]- 336.01343 174.1
[M]+ 315.03821 174.7
[M]- 315.03931 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.