CID 493623

Beta-d-glucopyranoside, phenyl 6-(acetylamino)-6-deoxy-

Structural Information

Molecular Formula
C14H19NO6
SMILES
CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C14H19NO6/c1-8(16)15-7-10-11(17)12(18)13(19)14(21-10)20-9-5-3-2-4-6-9/h2-6,10-14,17-19H,7H2,1H3,(H,15,16)/t10-,11-,12+,13-,14-/m1/s1
InChIKey
CANLSXYVMPZTCH-RKQHYHRCSA-N
Compound name
N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.12125 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 166.5
[M+Na]+ 320.11047 171.0
[M-H]- 296.11397 169.7
[M+NH4]+ 315.15507 177.9
[M+K]+ 336.08441 169.9
[M+H-H2O]+ 280.11851 159.2
[M+HCOO]- 342.11945 182.4
[M+CH3COO]- 356.13510 198.6
[M+Na-2H]- 318.09592 167.8
[M]+ 297.12070 164.6
[M]- 297.12180 164.6
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.