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]+ 359.112536 179.3
[M+Na]+ 381.094478 188.5
[M-H]- 357.097984 186.4
[M+NH4]+ 376.139083 192.5
[M+K]+ 397.068418 187.0
[M+H-H2O]+ 341.102520 172.2
[M+HCOO]- 403.103461 200.4
[M+CH3COO]- 417.119111 210.6
[M+Na-2H]- 379.079926 181.9
[M]+ 358.10471142 188.8
[M]- 358.10580858 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.