CID 11738939

Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC2=C(C=C1)C(=C(O2)C3=C(C=C(C=C3)O)OC)C(=O)OC
InChI
InChI=1S/C18H16O6/c1-21-11-5-7-12-15(9-11)24-17(16(12)18(20)23-3)13-6-4-10(19)8-14(13)22-2/h4-9,19H,1-3H3
InChIKey
FFAIKFRIUGUDRP-UHFFFAOYSA-N
Compound name
methyl 2-(4-hydroxy-2-methoxyphenyl)-6-methoxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 172.1
[M+Na]+ 351.083918 182.7
[M-H]- 327.087424 180.8
[M+NH4]+ 346.128523 187.5
[M+K]+ 367.057858 181.4
[M+H-H2O]+ 311.091960 165.3
[M+HCOO]- 373.092901 194.9
[M+CH3COO]- 387.108551 207.0
[M+Na-2H]- 349.069366 175.4
[M]+ 328.09415142 181.5
[M]- 328.09524858 181.5
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.