CID 3073184

Beta-d-xylopyranoside, 3-(phenylmethyl)phenyl

Structural Information

Molecular Formula
C18H20O5
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2)CC3=CC=CC=C3)O)O)O
InChI
InChI=1S/C18H20O5/c19-15-11-22-18(17(21)16(15)20)23-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15-21H,9,11H2/t15-,16+,17-,18+/m1/s1
InChIKey
ZLPXDYNOUYATCC-XDNAFOTISA-N
Compound name
(2S,3R,4S,5R)-2-(3-benzylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.13107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 173.9
[M+Na]+ 339.12029 187.0
[M+NH4]+ 334.16489 180.8
[M+K]+ 355.09423 181.1
[M-H]- 315.12379 179.7
[M+Na-2H]- 337.10574 180.5
[M]+ 316.13052 177.3
[M]- 316.13162 177.3
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

No patent data available for this compound.