CID 452204

1-meoet-t-tp

Structural Information

Molecular Formula
C8H15N2O12P3
SMILES
CC1=CN(C(=O)NC1=O)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C8H15N2O12P3/c1-6-4-10(8(12)9-7(6)11)2-3-20-5-23(13,14)21-25(18,19)22-24(15,16)17/h4H,2-3,5H2,1H3,(H,13,14)(H,18,19)(H,9,11,12)(H2,15,16,17)
InChIKey
CHOTUYXMZJBCQK-UHFFFAOYSA-N
Compound name
[hydroxy(phosphonooxy)phosphoryl]oxy-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxymethyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.9838 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.99108 179.4
[M+Na]+ 446.97302 182.1
[M-H]- 422.97652 183.7
[M+NH4]+ 442.01762 182.0
[M+K]+ 462.94696 167.2
[M+H-H2O]+ 406.98106 154.3
[M+HCOO]- 468.98200 203.3
[M+CH3COO]- 482.99765 212.0
[M+Na-2H]- 444.95847 164.1
[M]+ 423.98325 176.7
[M]- 423.98435 176.7
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.