CID 472592

Chembl3350444

Structural Information

Molecular Formula
C10H15N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CP(=O)(O)O
InChI
InChI=1S/C10H15N2O6P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(18-8)5-19(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKey
HLDZQZDUIKWLCW-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

290.06677 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07405 161.7
[M+Na]+ 313.05599 169.5
[M-H]- 289.05949 162.0
[M+NH4]+ 308.10059 173.4
[M+K]+ 329.02993 167.7
[M+H-H2O]+ 273.06403 152.8
[M+HCOO]- 335.06497 182.1
[M+CH3COO]- 349.08062 191.8
[M+Na-2H]- 311.04144 161.6
[M]+ 290.06622 161.6
[M]- 290.06732 161.6
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.