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

25
References

451
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

literature stripe

Patent stripe

patents stripe