CID 6477365

Nsc648691

Structural Information

Molecular Formula
C15H11NO3S2
SMILES
CCN1C(=O)/C(=C/C2=COC3=CC=CC=C3C2=O)/SC1=S
InChI
InChI=1S/C15H11NO3S2/c1-2-16-14(18)12(21-15(16)20)7-9-8-19-11-6-4-3-5-10(11)13(9)17/h3-8H,2H2,1H3/b12-7-
InChIKey
VAUGFLQWBHLWAJ-GHXNOFRVSA-N
Compound name
(5Z)-3-ethyl-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.01804 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.02532 168.6
[M+Na]+ 340.00726 180.3
[M-H]- 316.01076 176.3
[M+NH4]+ 335.05186 184.9
[M+K]+ 355.98120 174.5
[M+H-H2O]+ 300.01530 163.3
[M+HCOO]- 362.01624 179.6
[M+CH3COO]- 376.03189 180.7
[M+Na-2H]- 337.99271 167.8
[M]+ 317.01749 172.9
[M]- 317.01859 172.9
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.