CID 9571499

Nsc673312

Structural Information

Molecular Formula
C20H18N2O6
SMILES
CC(=O)/C(=N\NC1=CC=CC=C1)/C(=O)C2=C(C3=C(C(=C2O)OC)OC=C3)OC
InChI
InChI=1S/C20H18N2O6/c1-11(23)15(22-21-12-7-5-4-6-8-12)16(24)14-17(25)20(27-3)19-13(9-10-28-19)18(14)26-2/h4-10,21,25H,1-3H3/b22-15+
InChIKey
PRSLJBWDGGLZJL-PXLXIMEGSA-N
Compound name
(2E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-(phenylhydrazinylidene)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1165 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12378 187.9
[M+Na]+ 405.10572 194.8
[M-H]- 381.10922 197.1
[M+NH4]+ 400.15032 200.1
[M+K]+ 421.07966 194.1
[M+H-H2O]+ 365.11376 179.6
[M+HCOO]- 427.11470 211.8
[M+CH3COO]- 441.13035 225.0
[M+Na-2H]- 403.09117 190.0
[M]+ 382.11595 195.2
[M]- 382.11705 195.2
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.