CID 3073188

Beta-d-xylopyranoside, 4-((4-methoxyphenyl)methyl)phenyl

Structural Information

Molecular Formula
C19H22O6
SMILES
COC1=CC=C(C=C1)CC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
InChI
InChI=1S/C19H22O6/c1-23-14-6-2-12(3-7-14)10-13-4-8-15(9-5-13)25-19-18(22)17(21)16(20)11-24-19/h2-9,16-22H,10-11H2,1H3/t16-,17+,18-,19+/m1/s1
InChIKey
LSMAWUMLGXPQEL-HCXYKTFWSA-N
Compound name
(2S,3R,4S,5R)-2-[4-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.14163 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.148906 180.1
[M+Na]+ 369.130848 185.3
[M-H]- 345.134354 186.4
[M+NH4]+ 364.175453 189.6
[M+K]+ 385.104788 183.0
[M+H-H2O]+ 329.138890 171.3
[M+HCOO]- 391.139831 195.4
[M+CH3COO]- 405.155481 206.0
[M+Na-2H]- 367.116296 181.1
[M]+ 346.14108142 179.8
[M]- 346.14217858 179.8
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.