CID 15954436

Madu

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CNC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H15N3O5/c1-11-5-3-13(10(17)12-9(5)16)8-2-6(15)7(4-14)18-8/h3,6-8,11,14-15H,2,4H2,1H3,(H,12,16,17)/t6-,7+,8+/m0/s1
InChIKey
KPQFKCWYCKXXIP-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1077
Patents

257.10117 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.108446 154.7
[M+Na]+ 280.090388 163.2
[M-H]- 256.093894 156.5
[M+NH4]+ 275.134993 167.3
[M+K]+ 296.064328 160.4
[M+H-H2O]+ 240.098430 147.4
[M+HCOO]- 302.099371 172.4
[M+CH3COO]- 316.115021 189.6
[M+Na-2H]- 278.075836 156.6
[M]+ 257.10062142 153.4
[M]- 257.10171858 153.4
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