CID 3006678

Schembl7144614

Structural Information

Molecular Formula
C10H14N4O6
SMILES
C1=NC(=C(N1[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O)C(=O)N)C(=O)N
InChI
InChI=1S/C10H14N4O6/c11-8(18)4-5(9(12)19)14(2-13-4)10-7(17)6(16)3(1-15)20-10/h2-3,6-7,10,15-17H,1H2,(H2,11,18)(H2,12,19)/t3-,6-,7-,10-/m0/s1
InChIKey
NLRZTUDUQPHELG-VUZZUPLGSA-N
Compound name
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

286.09134 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09862 161.1
[M+Na]+ 309.08056 167.2
[M-H]- 285.08406 162.4
[M+NH4]+ 304.12516 173.0
[M+K]+ 325.05450 166.3
[M+H-H2O]+ 269.08860 154.3
[M+HCOO]- 331.08954 177.5
[M+CH3COO]- 345.10519 198.9
[M+Na-2H]- 307.06601 157.6
[M]+ 286.09079 158.0
[M]- 286.09189 158.0
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