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 172.7
[M+Na]+ 339.12029 177.7
[M-H]- 315.12379 178.9
[M+NH4]+ 334.16489 183.3
[M+K]+ 355.09423 174.7
[M+H-H2O]+ 299.12833 164.3
[M+HCOO]- 361.12927 188.2
[M+CH3COO]- 375.14492 199.4
[M+Na-2H]- 337.10574 174.8
[M]+ 316.13052 170.2
[M]- 316.13162 170.2
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.