CID 378290

Nsc660245

Structural Information

Molecular Formula
C10H17N2O8P
SMILES
C1=CN(C(=O)NC1=O)C(CO)OC(CCP(=O)(O)O)CO
InChI
InChI=1S/C10H17N2O8P/c13-5-7(2-4-21(17,18)19)20-9(6-14)12-3-1-8(15)11-10(12)16/h1,3,7,9,13-14H,2,4-6H2,(H,11,15,16)(H2,17,18,19)
InChIKey
IEIXDOOMKLUSEB-UHFFFAOYSA-N
Compound name
[3-[1-(2,4-dioxopyrimidin-1-yl)-2-hydroxyethoxy]-4-hydroxybutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 168.7
[M+Na]+ 347.06149 173.6
[M-H]- 323.06499 161.9
[M+NH4]+ 342.10609 176.6
[M+K]+ 363.03543 171.9
[M+H-H2O]+ 307.06953 159.3
[M+HCOO]- 369.07047 186.1
[M+CH3COO]- 383.08612 194.6
[M+Na-2H]- 345.04694 168.2
[M]+ 324.07172 169.8
[M]- 324.07282 169.8
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.