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 169.8
[M+Na]+ 347.09622 173.1
[M-H]- 323.09972 168.3
[M+NH4]+ 342.14082 176.1
[M+K]+ 363.07016 172.2
[M+H-H2O]+ 307.10426 160.7
[M+HCOO]- 369.10520 182.9
[M+CH3COO]- 383.12085 200.2
[M+Na-2H]- 345.08167 170.5
[M]+ 324.10645 169.1
[M]- 324.10755 169.1
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.