CID 131752798

2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside

Structural Information

Molecular Formula
C19H30O10
SMILES
COC1=C(C=CC(=C1)CCCO)OC(CO)COC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C19H30O10/c1-26-14-7-11(3-2-6-20)4-5-13(14)28-12(8-21)10-27-19-18(25)17(24)16(23)15(9-22)29-19/h4-5,7,12,15-25H,2-3,6,8-10H2,1H3
InChIKey
LRRKTNFBBSNZEN-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1839 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19118 197.0
[M+Na]+ 441.17312 203.0
[M+NH4]+ 436.21772 198.3
[M+K]+ 457.14706 202.5
[M-H]- 417.17662 195.6
[M+Na-2H]- 439.15857 194.5
[M]+ 418.18335 196.7
[M]- 418.18445 196.7
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.