CID 2139159

618075-02-8

Structural Information

Molecular Formula
C15H13NO2S2
SMILES
CCN1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2)/SC1=S
InChI
InChI=1S/C15H13NO2S2/c1-2-16-14(17)13(20-15(16)19)8-10-7-11-5-3-4-6-12(11)18-9-10/h3-8H,2,9H2,1H3/b13-8-
InChIKey
HJFOKYACRIHKSC-JYRVWZFOSA-N
Compound name
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.03876 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04604 166.1
[M+Na]+ 326.02798 176.1
[M-H]- 302.03148 173.0
[M+NH4]+ 321.07258 182.8
[M+K]+ 342.00192 170.6
[M+H-H2O]+ 286.03602 160.7
[M+HCOO]- 348.03696 175.4
[M+CH3COO]- 362.05261 177.6
[M+Na-2H]- 324.01343 164.8
[M]+ 303.03821 167.9
[M]- 303.03931 167.9
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.