CID 6478846

Methyl 2-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-7-methoxy-benzofuran-6-carboxylate

Structural Information

Molecular Formula
C19H16O6
SMILES
COC1=C(C=CC2=C1OC(=C2)/C=C/C3=CC(=C(C=C3)O)O)C(=O)OC
InChI
InChI=1S/C19H16O6/c1-23-18-14(19(22)24-2)7-5-12-10-13(25-17(12)18)6-3-11-4-8-15(20)16(21)9-11/h3-10,20-21H,1-2H3/b6-3+
InChIKey
MUFKLNUCXITABZ-ZZXKWVIFSA-N
Compound name
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-7-methoxy-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0947 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 176.3
[M+Na]+ 363.08392 186.4
[M-H]- 339.08742 183.6
[M+NH4]+ 358.12852 190.5
[M+K]+ 379.05786 183.4
[M+H-H2O]+ 323.09196 169.6
[M+HCOO]- 385.09290 197.5
[M+CH3COO]- 399.10855 206.4
[M+Na-2H]- 361.06937 178.7
[M]+ 340.09415 183.5
[M]- 340.09525 183.5
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.