CID 6478840

Methyl (e)-7-methoxy-2-[2-(4-hydroxyphenyl)ethyl]-6-benzofurancarboxylate

Structural Information

Molecular Formula
C19H16O5
SMILES
COC1=C(C=CC2=C1OC(=C2)/C=C/C3=CC=C(C=C3)O)C(=O)OC
InChI
InChI=1S/C19H16O5/c1-22-18-16(19(21)23-2)10-6-13-11-15(24-17(13)18)9-5-12-3-7-14(20)8-4-12/h3-11,20H,1-2H3/b9-5+
InChIKey
MLHRHCZXWRZQLE-WEVVVXLNSA-N
Compound name
methyl 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.09976 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 173.6
[M+Na]+ 347.08898 183.5
[M-H]- 323.09248 181.8
[M+NH4]+ 342.13358 188.9
[M+K]+ 363.06292 180.5
[M+H-H2O]+ 307.09702 166.6
[M+HCOO]- 369.09796 196.1
[M+CH3COO]- 383.11361 205.0
[M+Na-2H]- 345.07443 176.8
[M]+ 324.09921 180.7
[M]- 324.10031 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.