CID 516466

Chembl598602

Structural Information

Molecular Formula
C11H15N3O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC(=O)N)CO)O
InChI
InChI=1S/C11H15N3O6/c12-8(17)1-5-3-14(11(19)13-10(5)18)9-2-6(16)7(4-15)20-9/h3,6-7,9,15-16H,1-2,4H2,(H2,12,17)(H,13,18,19)/t6-,7+,9+/m0/s1
InChIKey
GIQFLXDZMWPARW-LKEWCRSYSA-N
Compound name
2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.0961 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10338 160.9
[M+Na]+ 308.08532 168.7
[M-H]- 284.08882 162.2
[M+NH4]+ 303.12992 171.9
[M+K]+ 324.05926 166.1
[M+H-H2O]+ 268.09336 153.5
[M+HCOO]- 330.09430 177.0
[M+CH3COO]- 344.10995 195.0
[M+Na-2H]- 306.07077 160.4
[M]+ 285.09555 159.1
[M]- 285.09665 159.1
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

No patent data available for this compound.