CID 3013089

5-formyl-pmeo-dapy

Structural Information

Molecular Formula
C8H13N4O6P
SMILES
C(COC1=NC(=NC(=C1C=O)N)N)OCP(=O)(O)O
InChI
InChI=1S/C8H13N4O6P/c9-6-5(3-13)7(12-8(10)11-6)18-2-1-17-4-19(14,15)16/h3H,1-2,4H2,(H2,14,15,16)(H4,9,10,11,12)
InChIKey
OFUMNBLZWNJIIS-UHFFFAOYSA-N
Compound name
2-(2,6-diamino-5-formylpyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

292.05728 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06456 161.3
[M+Na]+ 315.04650 168.2
[M-H]- 291.05000 158.1
[M+NH4]+ 310.09110 172.0
[M+K]+ 331.02044 166.8
[M+H-H2O]+ 275.05454 151.2
[M+HCOO]- 337.05548 186.1
[M+CH3COO]- 351.07113 200.6
[M+Na-2H]- 313.03195 163.3
[M]+ 292.05673 163.1
[M]- 292.05783 163.1
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.