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]+ 250.09346 151.7
[M+Na]+ 272.07540 164.9
[M-H]- 248.07890 150.1
[M+NH4]+ 267.12000 166.9
[M+K]+ 288.04934 160.1
[M+H-H2O]+ 232.08344 143.6
[M+HCOO]- 294.08438 171.0
[M+CH3COO]- 308.10003 163.8
[M+Na-2H]- 270.06085 158.2
[M]+ 249.08563 157.6
[M]- 249.08673 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.