CID 9571933

Nsc673311

Structural Information

Molecular Formula
C20H17ClN2O6
SMILES
CC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/C(=O)C2=C(C3=C(C(=C2O)OC)OC=C3)OC
InChI
InChI=1S/C20H17ClN2O6/c1-10(24)15(23-22-12-6-4-5-11(21)9-12)16(25)14-17(26)20(28-3)19-13(7-8-29-19)18(14)27-2/h4-9,22,26H,1-3H3/b23-15+
InChIKey
PRSJHWCESHTWJE-HZHRSRAPSA-N
Compound name
(2E)-2-[(3-chlorophenyl)hydrazinylidene]-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0775 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.08478 195.3
[M+Na]+ 439.06672 204.0
[M-H]- 415.07022 204.9
[M+NH4]+ 434.11132 207.5
[M+K]+ 455.04066 201.8
[M+H-H2O]+ 399.07476 188.2
[M+HCOO]- 461.07570 214.8
[M+CH3COO]- 475.09135 229.8
[M+Na-2H]- 437.05217 196.4
[M]+ 416.07695 205.7
[M]- 416.07805 205.7
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.