CID 169016

7226-77-9

Structural Information

Molecular Formula
C10H15N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)CO)O
InChI
InChI=1S/C10H15N3O5/c11-9-5(3-14)2-13(10(17)12-9)8-1-6(16)7(4-15)18-8/h2,6-8,14-16H,1,3-4H2,(H2,11,12,17)/t6-,7+,8+/m0/s1
InChIKey
HMUOMFLFUUHUPE-XLPZGREQSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

787
Patents

257.10117 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 155.6
[M+Na]+ 280.09039 163.9
[M-H]- 256.09389 156.9
[M+NH4]+ 275.13499 168.1
[M+K]+ 296.06433 161.4
[M+H-H2O]+ 240.09843 148.3
[M+HCOO]- 302.09937 172.6
[M+CH3COO]- 316.11502 189.8
[M+Na-2H]- 278.07584 156.6
[M]+ 257.10062 154.1
[M]- 257.10172 154.1
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