CID 9965689

Schembl562227

Structural Information

Molecular Formula
C11H17N3O6
SMILES
CCO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)CO
InChI
InChI=1S/C11H17N3O6/c1-2-19-11(5-15)8(17)7(16)9(20-11)14-4-3-6(12)13-10(14)18/h3-4,7-9,15-17H,2,5H2,1H3,(H2,12,13,18)/t7-,8+,9-,11-/m1/s1
InChIKey
UYECBAZHRIWVER-PKIKSRDPSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-5-ethoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

287.11172 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11900 160.2
[M+Na]+ 310.10094 168.8
[M-H]- 286.10444 161.7
[M+NH4]+ 305.14554 173.5
[M+K]+ 326.07488 167.2
[M+H-H2O]+ 270.10898 153.7
[M+HCOO]- 332.10992 177.1
[M+CH3COO]- 346.12557 194.8
[M+Na-2H]- 308.08639 162.6
[M]+ 287.11117 161.0
[M]- 287.11227 161.0
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