CID 452205

1-meoet-u-tp

Structural Information

Molecular Formula
C7H13N2O12P3
SMILES
C1=CN(C(=O)NC1=O)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C7H13N2O12P3/c10-6-1-2-9(7(11)8-6)3-4-19-5-22(12,13)20-24(17,18)21-23(14,15)16/h1-2H,3-5H2,(H,12,13)(H,17,18)(H,8,10,11)(H2,14,15,16)
InChIKey
HXWNOJYMCPRNBL-UHFFFAOYSA-N
Compound name
2-(2,4-dioxopyrimidin-1-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.96814 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.97542 174.2
[M+Na]+ 432.95736 177.3
[M-H]- 408.96086 178.5
[M+NH4]+ 428.00196 176.7
[M+K]+ 448.93130 161.5
[M+H-H2O]+ 392.96540 164.6
[M+HCOO]- 454.96634 198.4
[M+CH3COO]- 468.98199 207.7
[M+Na-2H]- 430.94281 159.5
[M]+ 409.96759 171.5
[M]- 409.96869 171.5
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.