CID 5276920

Pmdtt

Structural Information

Molecular Formula
C10H15N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](CO2)OCP(=O)(O)O
InChI
InChI=1S/C10H15N2O7P/c1-6-3-12(10(14)11-9(6)13)8-2-7(4-18-8)19-5-20(15,16)17/h3,7-8H,2,4-5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1
InChIKey
ICGMUOZWOCLUNS-HTQZYQBOSA-N
Compound name
[(3R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

306.06168 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06896 163.3
[M+Na]+ 329.05090 170.7
[M-H]- 305.05440 163.6
[M+NH4]+ 324.09550 174.2
[M+K]+ 345.02484 169.7
[M+H-H2O]+ 289.05894 154.2
[M+HCOO]- 351.05988 183.8
[M+CH3COO]- 365.07553 194.2
[M+Na-2H]- 327.03635 163.6
[M]+ 306.06113 164.6
[M]- 306.06223 164.6
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