CID 6424189

7382-59-4

Structural Information

Molecular Formula
C17H20O6
SMILES
COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3
InChIKey
PPZSOILKWHVNNS-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

775
Patents

320.12598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13326 172.4
[M+Na]+ 343.11520 177.8
[M-H]- 319.11870 175.2
[M+NH4]+ 338.15980 184.4
[M+K]+ 359.08914 175.7
[M+H-H2O]+ 303.12324 164.7
[M+HCOO]- 365.12418 190.4
[M+CH3COO]- 379.13983 201.6
[M+Na-2H]- 341.10065 173.1
[M]+ 320.12543 175.5
[M]- 320.12653 175.5
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.