CID 513597

Pmephc

Structural Information

Molecular Formula
C13H16N3O5P
SMILES
C1=CC=C(C=C1)C2=CN(C(=O)N=C2N)CCOCP(=O)(O)O
InChI
InChI=1S/C13H16N3O5P/c14-12-11(10-4-2-1-3-5-10)8-16(13(17)15-12)6-7-21-9-22(18,19)20/h1-5,8H,6-7,9H2,(H2,14,15,17)(H2,18,19,20)
InChIKey
GFZCVGWDGRUGMP-UHFFFAOYSA-N
Compound name
2-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.08276 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09004 173.3
[M+Na]+ 348.07198 180.4
[M-H]- 324.07548 173.6
[M+NH4]+ 343.11658 183.0
[M+K]+ 364.04592 176.9
[M+H-H2O]+ 308.08002 162.0
[M+HCOO]- 370.08096 197.2
[M+CH3COO]- 384.09661 204.2
[M+Na-2H]- 346.05743 175.4
[M]+ 325.08221 174.5
[M]- 325.08331 174.5
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.