CID 2801971

Benzyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside

Structural Information

Molecular Formula
C15H21NO6
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)CO)O)O
InChI
InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1
InChIKey
SKOZFDIGKDPQBO-RYPNDVFKSA-N
Compound name
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

250
Patents

311.1369 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14418 171.0
[M+Na]+ 334.12612 175.1
[M-H]- 310.12962 173.9
[M+NH4]+ 329.17072 181.8
[M+K]+ 350.10006 173.7
[M+H-H2O]+ 294.13416 163.5
[M+HCOO]- 356.13510 186.6
[M+CH3COO]- 370.15075 201.6
[M+Na-2H]- 332.11157 171.7
[M]+ 311.13635 169.4
[M]- 311.13745 169.4
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

patents stripe