CID 86575311

1-(4-hydroxy-3,5-dimethoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-propanediol

Structural Information

Molecular Formula
C18H22O7
SMILES
COC1=CC(=CC(=C1O)OC)C(C(CO)C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C18H22O7/c1-23-14-6-10(4-5-13(14)20)12(9-19)17(21)11-7-15(24-2)18(22)16(8-11)25-3/h4-8,12,17,19-22H,9H2,1-3H3
InChIKey
JSCDBDYAZOODRW-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3,5-dimethoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.13657 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14385 179.2
[M+Na]+ 373.12579 185.2
[M-H]- 349.12929 181.2
[M+NH4]+ 368.17039 189.7
[M+K]+ 389.09973 183.2
[M+H-H2O]+ 333.13383 171.7
[M+HCOO]- 395.13477 195.4
[M+CH3COO]- 409.15042 207.5
[M+Na-2H]- 371.11124 177.7
[M]+ 350.13602 183.1
[M]- 350.13712 183.1
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.