CID 481073

Chembl307859

Structural Information

Molecular Formula
C11H13N5O4
SMILES
C1=CN2C(=O)C3=C(NC2=N1)N(C=N3)COC(CO)CO
InChI
InChI=1S/C11H13N5O4/c17-3-7(4-18)20-6-15-5-13-8-9(15)14-11-12-1-2-16(11)10(8)19/h1-2,5,7,17-18H,3-4,6H2,(H,12,14)
InChIKey
LHNLDWUKIKTMKT-UHFFFAOYSA-N
Compound name
3-(1,3-dihydroxypropan-2-yloxymethyl)-4H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.09674 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10402 158.9
[M+Na]+ 302.08596 170.5
[M-H]- 278.08946 156.1
[M+NH4]+ 297.13056 172.0
[M+K]+ 318.05990 166.1
[M+H-H2O]+ 262.09400 151.0
[M+HCOO]- 324.09494 175.6
[M+CH3COO]- 338.11059 169.7
[M+Na-2H]- 300.07141 163.7
[M]+ 279.09619 164.1
[M]- 279.09729 164.1
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.