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]+ 325.114276 169.8
[M+Na]+ 347.096218 173.1
[M-H]- 323.099724 168.3
[M+NH4]+ 342.140823 176.1
[M+K]+ 363.070158 172.2
[M+H-H2O]+ 307.104260 160.7
[M+HCOO]- 369.105201 182.9
[M+CH3COO]- 383.120851 200.2
[M+Na-2H]- 345.081666 170.5
[M]+ 324.10645142 169.1
[M]- 324.10754858 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.