CID 78333406

Lcd

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=C(C=C(C=C1)CC2=C(C3=C(O2)C=C(C=C3)OCC(=O)O)O)OC
InChI
InChI=1S/C19H18O7/c1-23-14-6-3-11(7-16(14)24-2)8-17-19(22)13-5-4-12(9-15(13)26-17)25-10-18(20)21/h3-7,9,22H,8,10H2,1-2H3,(H,20,21)
InChIKey
FIYOEEJRYAHPPV-UHFFFAOYSA-N
Compound name
2-[[2-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-1-benzofuran-6-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 180.7
[M+Na]+ 381.09448 193.9
[M+NH4]+ 376.13908 186.3
[M+K]+ 397.06842 191.0
[M-H]- 357.09798 183.8
[M+Na-2H]- 379.07993 185.0
[M]+ 358.10471 183.4
[M]- 358.10581 183.4
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.