CID 510575

Chembl102768

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)C)O)N
InChI
InChI=1S/C10H15N3O4/c1-4-3-13(10(16)12-8(4)15)9-7(14)6(11)5(2)17-9/h3,5-7,9,14H,11H2,1-2H3,(H,12,15,16)/t5-,6-,7-,9-/m1/s1
InChIKey
GACITEXDWPETTF-JXOAFFINSA-N
Compound name
1-[(2R,3R,4S,5R)-4-amino-3-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.10626 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.7
[M+Na]+ 264.09548 163.0
[M-H]- 240.09898 155.8
[M+NH4]+ 259.14008 167.0
[M+K]+ 280.06942 160.0
[M+H-H2O]+ 224.10352 145.9
[M+HCOO]- 286.10446 171.2
[M+CH3COO]- 300.12011 190.3
[M+Na-2H]- 262.08093 153.2
[M]+ 241.10571 151.3
[M]- 241.10681 151.3
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

No patent data available for this compound.