CID 480242

1,3-dioxolane-5-azacytosine nucleoside

Structural Information

Molecular Formula
C7H10N4O4
SMILES
C1[C@H](O[C@H](O1)CO)N2C=NC(=NC2=O)N
InChI
InChI=1S/C7H10N4O4/c8-6-9-3-11(7(13)10-6)4-2-14-5(1-12)15-4/h3-5,12H,1-2H2,(H2,8,10,13)/t4-,5-/m0/s1
InChIKey
CTXKCMMIADCIJP-WHFBIAKZSA-N
Compound name
4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

214.0702 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07748 144.1
[M+Na]+ 237.05942 153.1
[M-H]- 213.06292 147.0
[M+NH4]+ 232.10402 156.5
[M+K]+ 253.03336 152.8
[M+H-H2O]+ 197.06746 135.7
[M+HCOO]- 259.06840 162.6
[M+CH3COO]- 273.08405 183.4
[M+Na-2H]- 235.04487 149.0
[M]+ 214.06965 144.0
[M]- 214.07075 144.0
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