CID 135454726

Nsc682099

Structural Information

Molecular Formula
C8H13N4O6P
SMILES
C(COCP(=O)(O)O)NC1=C(C(=O)NC(=N1)N)C=O
InChI
InChI=1S/C8H13N4O6P/c9-8-11-6(5(3-13)7(14)12-8)10-1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,11,12,14)
InChIKey
RDZMOBSCLHXJON-UHFFFAOYSA-N
Compound name
2-[(2-amino-5-formyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.05728 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06456 161.0
[M+Na]+ 315.04650 167.7
[M-H]- 291.05000 156.9
[M+NH4]+ 310.09110 171.2
[M+K]+ 331.02044 165.2
[M+H-H2O]+ 275.05454 151.1
[M+HCOO]- 337.05548 185.0
[M+CH3COO]- 351.07113 198.2
[M+Na-2H]- 313.03195 163.5
[M]+ 292.05673 161.2
[M]- 292.05783 161.2
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.