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]+ 230.07715 146.7
[M+Na]+ 252.05909 156.8
[M-H]- 228.06259 149.0
[M+NH4]+ 247.10369 158.7
[M+K]+ 268.03303 155.9
[M+H-H2O]+ 212.06713 139.1
[M+HCOO]- 274.06807 163.3
[M+CH3COO]- 288.08372 182.4
[M+Na-2H]- 250.04454 150.5
[M]+ 229.06932 148.0
[M]- 229.07042 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.