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

literature stripe

Patent stripe

patents stripe