CID 154699475

Ns00117240

Structural Information

Molecular Formula
C13H19N3O10
SMILES
COCC(CN1C=CN=C1[N+](=O)[O-])OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C13H19N3O10/c1-24-5-6(4-15-3-2-14-13(15)16(22)23)25-12-9(19)7(17)8(18)10(26-12)11(20)21/h2-3,6-10,12,17-19H,4-5H2,1H3,(H,20,21)/t6?,7-,8-,9+,10-,12?/m0/s1
InChIKey
AGTMQQNYEJNPKI-HHSHATBTSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10706 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11434 179.0
[M+Na]+ 400.09628 184.6
[M+NH4]+ 395.14088 179.5
[M+K]+ 416.07022 190.9
[M-H]- 376.09978 177.2
[M+Na-2H]- 398.08173 176.1
[M]+ 377.10651 178.2
[M]- 377.10761 178.2
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.