CID 5271674

Chembl431053

Structural Information

Molecular Formula
C13H13N5O4
SMILES
C1=COC(=C1)COC(=O)C(CN2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C13H13N5O4/c14-11-10-12(16-6-15-11)18(7-17-10)4-9(19)13(20)22-5-8-2-1-3-21-8/h1-3,6-7,9,19H,4-5H2,(H2,14,15,16)
InChIKey
XUCHBDRFEGIJSA-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.09674 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10402 164.3
[M+Na]+ 326.08596 173.0
[M-H]- 302.08946 167.2
[M+NH4]+ 321.13056 175.6
[M+K]+ 342.05990 171.2
[M+H-H2O]+ 286.09400 155.2
[M+HCOO]- 348.09494 183.5
[M+CH3COO]- 362.11059 175.2
[M+Na-2H]- 324.07141 167.5
[M]+ 303.09619 168.5
[M]- 303.09729 168.5
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.