CID 6476406

(2z)-4,6-dihydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=CC(=CC(=C1O)OC)/C=C\2/C(=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/b14-5-
InChIKey
LOVMOOUQHWMIHZ-RZNTYIFUSA-N
Compound name
(2Z)-4,6-dihydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 331.08122 170.7
[M+Na]+ 353.06316 180.9
[M-H]- 329.06666 176.7
[M+NH4]+ 348.10776 184.8
[M+K]+ 369.03710 178.1
[M+H-H2O]+ 313.07120 164.8
[M+HCOO]- 375.07214 189.2
[M+CH3COO]- 389.08779 203.8
[M+Na-2H]- 351.04861 172.1
[M]+ 330.07339 175.6
[M]- 330.07449 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.