CID 493049

Chembl301240

Structural Information

Molecular Formula
C10H17N4O5P
SMILES
C1CC1NC2=CC(=O)N(C(=N2)N)CCOCP(=O)(O)O
InChI
InChI=1S/C10H17N4O5P/c11-10-13-8(12-7-1-2-7)5-9(15)14(10)3-4-19-6-20(16,17)18/h5,7,12H,1-4,6H2,(H2,11,13)(H2,16,17,18)
InChIKey
HOXAMCRTJVRISK-UHFFFAOYSA-N
Compound name
2-[2-amino-4-(cyclopropylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

304.09366 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10094 168.9
[M+Na]+ 327.08288 177.1
[M-H]- 303.08638 170.0
[M+NH4]+ 322.12748 175.1
[M+K]+ 343.05682 172.2
[M+H-H2O]+ 287.09092 159.1
[M+HCOO]- 349.09186 193.7
[M+CH3COO]- 363.10751 205.6
[M+Na-2H]- 325.06833 170.9
[M]+ 304.09311 172.4
[M]- 304.09421 172.4
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