CID 16429306

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

Structural Information

Molecular Formula
C16H15NO2S2
SMILES
CCCN1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2)/SC1=S
InChI
InChI=1S/C16H15NO2S2/c1-2-7-17-15(18)14(21-16(17)20)9-11-8-12-5-3-4-6-13(12)19-10-11/h3-6,8-9H,2,7,10H2,1H3/b14-9-
InChIKey
SOJUAJRJAMNVME-ZROIWOOFSA-N
Compound name
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0544 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06168 170.3
[M+Na]+ 340.04362 179.8
[M-H]- 316.04712 177.0
[M+NH4]+ 335.08822 186.4
[M+K]+ 356.01756 174.1
[M+H-H2O]+ 300.05166 164.7
[M+HCOO]- 362.05260 179.3
[M+CH3COO]- 376.06825 181.4
[M+Na-2H]- 338.02907 168.6
[M]+ 317.05385 172.4
[M]- 317.05495 172.4
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.