CID 3011380

Chembl150124

Structural Information

Molecular Formula
C9H15N4O7P
SMILES
C(COC1=NC(=NC(=C1CC(=O)O)N)N)OCP(=O)(O)O
InChI
InChI=1S/C9H15N4O7P/c10-7-5(3-6(14)15)8(13-9(11)12-7)20-2-1-19-4-21(16,17)18/h1-4H2,(H,14,15)(H2,16,17,18)(H4,10,11,12,13)
InChIKey
NVNLWRXWFIBJKB-UHFFFAOYSA-N
Compound name
2-[2,4-diamino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

322.06784 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07512 168.0
[M+Na]+ 345.05706 173.4
[M-H]- 321.06056 163.4
[M+NH4]+ 340.10166 176.6
[M+K]+ 361.03100 172.5
[M+H-H2O]+ 305.06510 157.8
[M+HCOO]- 367.06604 190.1
[M+CH3COO]- 381.08169 204.9
[M+Na-2H]- 343.04251 168.2
[M]+ 322.06729 169.0
[M]- 322.06839 169.0
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.