CID 6445903

Cinnamoyl-5 dimethoxy-4,7 carboxymethoxy-6 benzofuranne [french]

Structural Information

Molecular Formula
C21H18O7
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCC(=O)O)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H18O7/c1-25-18-14-10-11-27-19(14)21(26-2)20(28-12-16(23)24)17(18)15(22)9-8-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,24)/b9-8+
InChIKey
RPMCBVVONAPZPY-CMDGGOBGSA-N
Compound name
2-[[4,7-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-6-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.10526 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11254 186.9
[M+Na]+ 405.09448 199.5
[M+NH4]+ 400.13908 191.7
[M+K]+ 421.06842 196.3
[M-H]- 381.09798 189.6
[M+Na-2H]- 403.07993 191.0
[M]+ 382.10471 189.2
[M]- 382.10581 189.2
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.