CID 9588988

201747-26-4

Structural Information

Molecular Formula

C₁₉H₁₇N₃O₆S

SMILES

CCN\1C(=O)CS/C1=N\N=C\C2=CC(=O)C3=C(C4=C(C(=C3O2)OC)OC=C4)OC

InChI

InChI=1S/C19H17N3O6S/c1-4-22-13(24)9-29-19(22)21-20-8-10-7-12(23)14-15(25-2)11-5-6-27-16(11)18(26-3)17(14)28-10/h5-8H,4,9H2,1-3H3/b20-8+,21-19-

InChIKey

WPBSKCZFXIVOQF-MUIGBKKTSA-N

Compound name

(2Z)-2-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylidenehydrazinylidene]-3-ethyl-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 415.0838 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	416.091076	195.4
[M+Na]+	438.073018	207.2
[M-H]-	414.076524	208.3
[M+NH4]+	433.117623	209.5
[M+K]+	454.046958	205.9
[M+H-H2O]+	398.081060	189.3
[M+HCOO]-	460.082001	216.5
[M+CH3COO]-	474.097651	231.4
[M+Na-2H]-	436.058466	197.3
[M]+	415.08325142	208.7
[M]-	415.08434858	208.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.