CID 3011377

Chembl356437

Structural Information

Molecular Formula
C10H17N4O5P
SMILES
C1CC1C2=C(N=C(N(C2=O)CCOCP(=O)(O)O)N)N
InChI
InChI=1S/C10H17N4O5P/c11-8-7(6-1-2-6)9(15)14(10(12)13-8)3-4-19-5-20(16,17)18/h6H,1-5,11H2,(H2,12,13)(H2,16,17,18)
InChIKey
CJXBHHCLIYURHM-UHFFFAOYSA-N
Compound name
2-(2,4-diamino-5-cyclopropyl-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.09366 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10094 169.4
[M+Na]+ 327.08288 178.5
[M-H]- 303.08638 170.4
[M+NH4]+ 322.12748 175.7
[M+K]+ 343.05682 173.2
[M+H-H2O]+ 287.09092 160.0
[M+HCOO]- 349.09186 193.5
[M+CH3COO]- 363.10751 206.5
[M+Na-2H]- 325.06833 169.7
[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

No patent data available for this compound.