CID 5271673

Chembl95633

Structural Information

Molecular Formula
C11H15N5O4
SMILES
COCCOC(=O)C(CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C11H15N5O4/c1-19-2-3-20-11(18)7(17)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14)
InChIKey
GZYQTOJIOFPWLI-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1124 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 160.8
[M+Na]+ 304.10162 169.4
[M-H]- 280.10512 159.1
[M+NH4]+ 299.14622 172.9
[M+K]+ 320.07556 167.1
[M+H-H2O]+ 264.10966 151.8
[M+HCOO]- 326.11060 179.4
[M+CH3COO]- 340.12625 198.5
[M+Na-2H]- 302.08707 165.1
[M]+ 281.11185 165.3
[M]- 281.11295 165.3
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.