CID 9571091

Glyconiazide

Structural Information

Molecular Formula
C12H13N3O6
SMILES
C1=CN=CC=C1C(=O)N/N=C/[C@@H]([C@@H]2[C@@H]([C@@H](C(=O)O2)O)O)O
InChI
InChI=1S/C12H13N3O6/c16-7(10-8(17)9(18)12(20)21-10)5-14-15-11(19)6-1-3-13-4-2-6/h1-5,7-10,16-18H,(H,15,19)/b14-5+/t7-,8+,9-,10+/m0/s1
InChIKey
ZBRCAASZBMWIDA-QFPUCQTMSA-N
Compound name
N-[(E)-[(2S)-2-[(2R,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

295.08044 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08772 162.7
[M+Na]+ 318.06966 167.6
[M-H]- 294.07316 166.4
[M+NH4]+ 313.11426 174.6
[M+K]+ 334.04360 166.8
[M+H-H2O]+ 278.07770 154.9
[M+HCOO]- 340.07864 182.1
[M+CH3COO]- 354.09429 199.9
[M+Na-2H]- 316.05511 164.2
[M]+ 295.07989 161.2
[M]- 295.08099 161.2
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

patents stripe