CID 15612534

2-acetamido-4,6-o-benzylidene-2-deoxy-d-glucopyranose

Structural Information

Molecular Formula
C15H19NO6
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)OC1O)O
InChI
InChI=1S/C15H19NO6/c1-8(17)16-11-12(18)13-10(21-14(11)19)7-20-15(22-13)9-5-3-2-4-6-9/h2-6,10-15,18-19H,7H2,1H3,(H,16,17)/t10-,11-,12-,13-,14?,15?/m1/s1
InChIKey
OIXDAEIOQFFRMF-SNNRFPGISA-N
Compound name
N-[(4aR,7R,8R,8aS)-6,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

309.12125 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12853 171.2
[M+Na]+ 332.11047 175.5
[M-H]- 308.11397 177.5
[M+NH4]+ 327.15507 181.0
[M+K]+ 348.08441 176.4
[M+H-H2O]+ 292.11851 163.6
[M+HCOO]- 354.11945 183.2
[M+CH3COO]- 368.13510 203.6
[M+Na-2H]- 330.09592 175.0
[M]+ 309.12070 168.9
[M]- 309.12180 168.9
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