CID 3039772

D-glucose, 2-deoxy-2-((5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl)amino)-

Structural Information

Molecular Formula
C13H16N4O6
SMILES
C1=CC(=CN=C1)C2=NN=C(O2)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C13H16N4O6/c18-5-8(10(21)11(22)9(20)6-19)15-13-17-16-12(23-13)7-2-1-3-14-4-7/h1-5,8-11,19-22H,6H2,(H,15,17)/t8-,9+,10+,11+/m0/s1
InChIKey
UZZKIDQNEVLPIQ-LNFKQOIKSA-N
Compound name
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)amino]hexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.107 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11428 171.6
[M+Na]+ 347.09622 177.8
[M+NH4]+ 342.14082 173.1
[M+K]+ 363.07016 180.4
[M-H]- 323.09972 169.7
[M+Na-2H]- 345.08167 172.6
[M]+ 324.10645 171.0
[M]- 324.10755 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.