CID 495200

Nsc645749

Structural Information

Molecular Formula
C10H15N3O6
SMILES
COC1=NC(=O)C=C(N1[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O)N
InChI
InChI=1S/C10H15N3O6/c1-18-10-12-6(15)2-5(11)13(10)9-8(17)7(16)4(3-14)19-9/h2,4,7-9,14,16-17H,3,11H2,1H3/t4-,7-,8-,9-/m0/s1
InChIKey
KVEUMDZWQCDKJU-GZIOMOCISA-N
Compound name
6-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methoxypyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0961 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10338 158.2
[M+Na]+ 296.08532 167.1
[M-H]- 272.08882 159.9
[M+NH4]+ 291.12992 170.2
[M+K]+ 312.05926 165.3
[M+H-H2O]+ 256.09336 151.0
[M+HCOO]- 318.09430 175.2
[M+CH3COO]- 332.10995 193.7
[M+Na-2H]- 294.07077 158.6
[M]+ 273.09555 158.5
[M]- 273.09665 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.