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]+ 347.14891 180.1
[M+Na]+ 369.13085 185.3
[M-H]- 345.13435 186.4
[M+NH4]+ 364.17545 189.6
[M+K]+ 385.10479 183.0
[M+H-H2O]+ 329.13889 171.3
[M+HCOO]- 391.13983 195.4
[M+CH3COO]- 405.15548 206.0
[M+Na-2H]- 367.11630 181.1
[M]+ 346.14108 179.8
[M]- 346.14218 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.