CID 90658690

4-hadnt c-glucoside

Structural Information

Molecular Formula
C13H17N3O10
SMILES
CC1=C(C=C(C(=C1[N+](=O)[O-])C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NO)[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O10/c1-4-6(15(22)23)2-5(14-21)8(9(4)16(24)25)13-12(20)11(19)10(18)7(3-17)26-13/h2,7,10-14,17-21H,3H2,1H3/t7-,10-,11+,12-,13?/m1/s1
InChIKey
PQZHEDVVKNTFII-DDSNRORXSA-N
Compound name
(3R,4R,5S,6R)-2-[6-(hydroxyamino)-3-methyl-2,4-dinitrophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

375.0914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09868 169.5
[M+Na]+ 398.08062 175.3
[M+NH4]+ 393.12522 178.2
[M+K]+ 414.05456 184.0
[M-H]- 374.08412 166.2
[M+Na-2H]- 396.06607 168.0
[M]+ 375.09085 171.4
[M]- 375.09195 171.4
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

No patent data available for this compound.