CID 3009933

Chembl279840

Structural Information

Molecular Formula
C10H17N2O8P
SMILES
CC1=CN(C(=O)NC1=O)COC(CP(=O)(O)O)C(CO)O
InChI
InChI=1S/C10H17N2O8P/c1-6-2-12(10(16)11-9(6)15)5-20-8(7(14)3-13)4-21(17,18)19/h2,7-8,13-14H,3-5H2,1H3,(H,11,15,16)(H2,17,18,19)
InChIKey
AKTOMHJHOYJVRE-UHFFFAOYSA-N
Compound name
[3,4-dihydroxy-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]butyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.07227 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07955 168.6
[M+Na]+ 347.06149 174.4
[M-H]- 323.06499 162.2
[M+NH4]+ 342.10609 176.8
[M+K]+ 363.03543 172.8
[M+H-H2O]+ 307.06953 159.6
[M+HCOO]- 369.07047 186.0
[M+CH3COO]- 383.08612 196.0
[M+Na-2H]- 345.04694 167.5
[M]+ 324.07172 170.1
[M]- 324.07282 170.1
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

No patent data available for this compound.