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
6
Annotation Hits

693
References

20332
Patents

259.08044 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.087716 154.0
[M+Na]+ 282.069658 161.2
[M-H]- 258.073164 154.4
[M+NH4]+ 277.114263 167.2
[M+K]+ 298.043598 159.9
[M+H-H2O]+ 242.077700 147.9
[M+HCOO]- 304.078641 169.7
[M+CH3COO]- 318.094291 188.3
[M+Na-2H]- 280.055106 152.1
[M]+ 259.07989142 151.8
[M]- 259.08098858 151.8
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