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]+ 242.113536 152.7
[M+Na]+ 264.095478 163.0
[M-H]- 240.098984 155.8
[M+NH4]+ 259.140083 167.0
[M+K]+ 280.069418 160.0
[M+H-H2O]+ 224.103520 145.9
[M+HCOO]- 286.104461 171.2
[M+CH3COO]- 300.120111 190.3
[M+Na-2H]- 262.080926 153.2
[M]+ 241.10571142 151.3
[M]- 241.10680858 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.