CID 5271668

Chembl95454

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CC(C)OC(=O)C(CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C11H15N5O3/c1-6(2)19-11(18)7(17)3-16-5-15-8-9(12)13-4-14-10(8)16/h4-7,17H,3H2,1-2H3,(H2,12,13,14)
InChIKey
KHIPUMHWTCRXMS-UHFFFAOYSA-N
Compound name
propan-2-yl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.1175 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 159.1
[M+Na]+ 288.10672 167.6
[M-H]- 264.11022 157.6
[M+NH4]+ 283.15132 171.9
[M+K]+ 304.08066 165.3
[M+H-H2O]+ 248.11476 150.5
[M+HCOO]- 310.11570 176.5
[M+CH3COO]- 324.13135 197.3
[M+Na-2H]- 286.09217 162.1
[M]+ 265.11695 161.6
[M]- 265.11805 161.6
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.