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 169.9
[M+Na]+ 338.02798 179.8
[M-H]- 314.03148 176.7
[M+NH4]+ 333.07258 186.0
[M+K]+ 354.00192 173.4
[M+H-H2O]+ 298.03602 164.4
[M+HCOO]- 360.03696 179.1
[M+CH3COO]- 374.05261 181.0
[M+Na-2H]- 336.01343 168.2
[M]+ 315.03821 171.4
[M]- 315.03931 171.4
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.