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 179.3
[M+Na]+ 381.09448 188.5
[M-H]- 357.09798 186.4
[M+NH4]+ 376.13908 192.5
[M+K]+ 397.06842 187.0
[M+H-H2O]+ 341.10252 172.2
[M+HCOO]- 403.10346 200.4
[M+CH3COO]- 417.11911 210.6
[M+Na-2H]- 379.07993 181.9
[M]+ 358.10471 188.8
[M]- 358.10581 188.8
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.