CID 85301070

2'-methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside

Structural Information

Molecular Formula
C16H24O9
SMILES
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)CC(CO)O
InChI
InChI=1S/C16H24O9/c1-23-11-5-10(3-2-8(11)4-9(19)6-17)24-16-15(22)14(21)13(20)12(7-18)25-16/h2-3,5,9,12-22H,4,6-7H2,1H3
InChIKey
VXXKDWBEVHGANN-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydroxypropyl)-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.14203 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.149306 180.3
[M+Na]+ 383.131248 184.0
[M-H]- 359.134754 179.5
[M+NH4]+ 378.175853 187.5
[M+K]+ 399.105188 183.3
[M+H-H2O]+ 343.139290 173.1
[M+HCOO]- 405.140231 190.1
[M+CH3COO]- 419.155881 204.6
[M+Na-2H]- 381.116696 178.0
[M]+ 360.14148142 180.5
[M]- 360.14257858 180.5
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.