CID 90657823

2-hadnt c-glucoside

Structural Information

Molecular Formula
C13H17N3O10
SMILES
CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NO
InChI
InChI=1S/C13H17N3O10/c1-4-5(15(22)23)2-6(16(24)25)8(9(4)14-21)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
LQVHMKSGVVHSHF-DDSNRORXSA-N
Compound name
(3R,4R,5S,6R)-2-[2-(hydroxyamino)-3-methyl-4,6-dinitrophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
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]+ 376.098676 176.6
[M+Na]+ 398.080618 179.1
[M-H]- 374.084124 177.7
[M+NH4]+ 393.125223 181.6
[M+K]+ 414.054558 169.5
[M+H-H2O]+ 358.088660 177.6
[M+HCOO]- 420.089601 191.4
[M+CH3COO]- 434.105251 200.3
[M+Na-2H]- 396.066066 181.4
[M]+ 375.09085142 170.7
[M]- 375.09194858 170.7
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.