CID 457974

[(2r,4r)-4-(4-acetamido-2-oxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methylphosphonic acid

Structural Information

Molecular Formula
C10H14N3O7P
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2CO[C@H](O2)CP(=O)(O)O
InChI
InChI=1S/C10H14N3O7P/c1-6(14)11-7-2-3-13(10(15)12-7)8-4-19-9(20-8)5-21(16,17)18/h2-3,8-9H,4-5H2,1H3,(H2,16,17,18)(H,11,12,14,15)/t8-,9-/m1/s1
InChIKey
UMZYMNOFMAMXBB-RKDXNWHRSA-N
Compound name
[(2R,4R)-4-(4-acetamido-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.05695 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06423 168.2
[M+Na]+ 342.04617 174.2
[M-H]- 318.04967 170.3
[M+NH4]+ 337.09077 177.2
[M+K]+ 358.02011 175.2
[M+H-H2O]+ 302.05421 158.4
[M+HCOO]- 364.05515 189.4
[M+CH3COO]- 378.07080 201.1
[M+Na-2H]- 340.03162 169.6
[M]+ 319.05640 170.0
[M]- 319.05750 170.0
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.