CID 485309

1-(2',3',5',6'-tetradeoxy-6'-phosphono-beta-d-erythro-hexofuranosyl)uracil

Structural Information

Molecular Formula
C10H15N2O6P
SMILES
C1C[C@@H](O[C@@H]1CCP(=O)(O)O)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H15N2O6P/c13-8-3-5-12(10(14)11-8)9-2-1-7(18-9)4-6-19(15,16)17/h3,5,7,9H,1-2,4,6H2,(H,11,13,14)(H2,15,16,17)/t7-,9+/m0/s1
InChIKey
RUMJXIWCICSADI-IONNQARKSA-N
Compound name
2-[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06677 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07405 161.7
[M+Na]+ 313.05599 168.5
[M-H]- 289.05949 161.5
[M+NH4]+ 308.10059 173.0
[M+K]+ 329.02993 166.7
[M+H-H2O]+ 273.06403 152.4
[M+HCOO]- 335.06497 182.1
[M+CH3COO]- 349.08062 190.4
[M+Na-2H]- 311.04144 162.2
[M]+ 290.06622 161.1
[M]- 290.06732 161.1
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.