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]+ 298.128526 166.5
[M+Na]+ 320.110468 171.0
[M-H]- 296.113974 169.7
[M+NH4]+ 315.155073 177.9
[M+K]+ 336.084408 169.9
[M+H-H2O]+ 280.118510 159.2
[M+HCOO]- 342.119451 182.4
[M+CH3COO]- 356.135101 198.6
[M+Na-2H]- 318.095916 167.8
[M]+ 297.12070142 164.6
[M]- 297.12179858 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.