CID 104762

Mizoribine

Structural Information

Molecular Formula
C9H13N3O6
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N
InChI
InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
InChIKey
HZQDCMWJEBCWBR-UUOKFMHZSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

602
References

19490
Patents

259.08044 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08772 155.8
[M+Na]+ 282.06966 161.5
[M+NH4]+ 277.11426 158.7
[M+K]+ 298.04360 166.0
[M-H]- 258.07316 154.3
[M+Na-2H]- 280.05511 154.4
[M]+ 259.07989 155.3
[M]- 259.08099 155.3
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