CID 5270773

Chembl321947

Structural Information

Molecular Formula
C10H13N5O3
SMILES
CCOC(=O)C(CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C10H13N5O3/c1-2-18-10(17)6(16)3-15-5-14-7-8(11)12-4-13-9(7)15/h4-6,16H,2-3H2,1H3,(H2,11,12,13)
InChIKey
OWFICHZHTGPCNS-UHFFFAOYSA-N
Compound name
ethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.10184 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 154.4
[M+Na]+ 274.09106 163.7
[M-H]- 250.09456 152.9
[M+NH4]+ 269.13566 167.9
[M+K]+ 290.06500 161.0
[M+H-H2O]+ 234.09910 145.8
[M+HCOO]- 296.10004 173.2
[M+CH3COO]- 310.11569 193.3
[M+Na-2H]- 272.07651 159.0
[M]+ 251.10129 157.2
[M]- 251.10239 157.2
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.