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

literature stripe

Patent stripe

patents stripe