CID 164933

Uric acid ribonucleoside

Structural Information

Molecular Formula
C10H12N4O7
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC2=O)NC(=O)N3)O)O)O
InChI
InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20)/t2-,4-,5-,8-/m1/s1
InChIKey
MFGPUMDDJCTHOI-UMMCILCDSA-N
Compound name
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,9-dihydropurine-2,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

5
Patents

300.0706 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07788 163.2
[M+Na]+ 323.05982 174.5
[M-H]- 299.06332 161.3
[M+NH4]+ 318.10442 172.7
[M+K]+ 339.03376 169.7
[M+H-H2O]+ 283.06786 157.0
[M+HCOO]- 345.06880 175.0
[M+CH3COO]- 359.08445 189.6
[M+Na-2H]- 321.04527 162.7
[M]+ 300.07005 162.5
[M]- 300.07115 162.5
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