CID 490065

Ns00134215

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=CC(=CC(=C1O)OC)C=C2C(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C17H14O7/c1-22-12-3-8(4-13(23-2)16(12)20)5-14-17(21)15-10(19)6-9(18)7-11(15)24-14/h3-7,18-20H,1-2H3
InChIKey
LOVMOOUQHWMIHZ-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07394 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.081216 170.7
[M+Na]+ 353.063158 180.9
[M-H]- 329.066664 176.7
[M+NH4]+ 348.107763 184.8
[M+K]+ 369.037098 178.1
[M+H-H2O]+ 313.071200 164.8
[M+HCOO]- 375.072141 189.2
[M+CH3COO]- 389.087791 203.8
[M+Na-2H]- 351.048606 172.1
[M]+ 330.07339142 175.6
[M]- 330.07448858 175.6
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.