CID 193461

10535-17-8

Structural Information

Molecular Formula
C18H22O6
SMILES
COC1=C(C=C(C=C1)C(C(CO)OC2=CC=CC=C2OC)O)OC
InChI
InChI=1S/C18H22O6/c1-21-13-6-4-5-7-15(13)24-17(11-19)18(20)12-8-9-14(22-2)16(10-12)23-3/h4-10,17-20H,11H2,1-3H3
InChIKey
IEWUCQVFAWBYOC-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

98
Patents

334.14163 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.148906 176.8
[M+Na]+ 357.130848 182.1
[M-H]- 333.134354 180.7
[M+NH4]+ 352.175453 188.8
[M+K]+ 373.104788 180.7
[M+H-H2O]+ 317.138890 168.6
[M+HCOO]- 379.139831 195.9
[M+CH3COO]- 393.155481 206.8
[M+Na-2H]- 355.116296 177.4
[M]+ 334.14108142 182.0
[M]- 334.14217858 182.0
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