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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.09108 195.4
[M+Na]+ 438.07302 207.2
[M-H]- 414.07652 208.3
[M+NH4]+ 433.11762 209.5
[M+K]+ 454.04696 205.9
[M+H-H2O]+ 398.08106 189.3
[M+HCOO]- 460.08200 216.5
[M+CH3COO]- 474.09765 231.4
[M+Na-2H]- 436.05847 197.3
[M]+ 415.08325 208.7
[M]- 415.08435 208.7
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.