CID 493052

Chembl292384

Structural Information

Molecular Formula
C9H17N4O5P
SMILES
CN(C)C1=CC(=O)N(C(=N1)N)CCOCP(=O)(O)O
InChI
InChI=1S/C9H17N4O5P/c1-12(2)7-5-8(14)13(9(10)11-7)3-4-18-6-19(15,16)17/h5H,3-4,6H2,1-2H3,(H2,10,11)(H2,15,16,17)
InChIKey
DOTUSJFCBIJJOA-UHFFFAOYSA-N
Compound name
2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

292.09366 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10094 163.7
[M+Na]+ 315.08288 170.7
[M-H]- 291.08638 162.4
[M+NH4]+ 310.12748 175.6
[M+K]+ 331.05682 170.1
[M+H-H2O]+ 275.09092 153.7
[M+HCOO]- 337.09186 189.2
[M+CH3COO]- 351.10751 204.8
[M+Na-2H]- 313.06833 165.3
[M]+ 292.09311 166.9
[M]- 292.09421 166.9
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