CID 481072

Chembl307860

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1=CN2C(=O)C3=C(NC2=N1)N(C=N3)COCCO
InChI
InChI=1S/C10H11N5O3/c16-3-4-18-6-14-5-12-7-8(14)13-10-11-1-2-15(10)9(7)17/h1-2,5,16H,3-4,6H2,(H,11,13)
InChIKey
DZPWEUBONKZVQT-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-4H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.08618 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.093456 151.7
[M+Na]+ 272.075398 164.9
[M-H]- 248.078904 150.1
[M+NH4]+ 267.120003 166.9
[M+K]+ 288.049338 160.1
[M+H-H2O]+ 232.083440 143.6
[M+HCOO]- 294.084381 171.0
[M+CH3COO]- 308.100031 163.8
[M+Na-2H]- 270.060846 158.2
[M]+ 249.08563142 157.6
[M]- 249.08672858 157.6
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.