CID 480244

1,3-dioxolane- 6-azathymine nucleoside

Structural Information

Molecular Formula
C8H11N3O5
SMILES
CC1=NN(C(=O)NC1=O)[C@@H]2CO[C@@H](O2)CO
InChI
InChI=1S/C8H11N3O5/c1-4-7(13)9-8(14)11(10-4)5-3-15-6(2-12)16-5/h5-6,12H,2-3H2,1H3,(H,9,13,14)/t5-,6-/m0/s1
InChIKey
YATLNZWDMJGKAJ-WDSKDSINSA-N
Compound name
2-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-6-methyl-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.06987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.077146 146.7
[M+Na]+ 252.059088 156.8
[M-H]- 228.062594 149.0
[M+NH4]+ 247.103693 158.7
[M+K]+ 268.033028 155.9
[M+H-H2O]+ 212.067130 139.1
[M+HCOO]- 274.068071 163.3
[M+CH3COO]- 288.083721 182.4
[M+Na-2H]- 250.044536 150.5
[M]+ 229.06932142 148.0
[M]- 229.07041858 148.0
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

No patent data available for this compound.