CID 490468

Chembl134639

Structural Information

Molecular Formula
C11H13N5O4
SMILES
C1=C(N2C(=O)C3=C(NC2=N1)N(C=N3)COCCO)CO
InChI
InChI=1S/C11H13N5O4/c17-1-2-20-6-15-5-13-8-9(15)14-11-12-3-7(4-18)16(11)10(8)19/h3,5,17-18H,1-2,4,6H2,(H,12,14)
InChIKey
DDMXEKXVXGFVTC-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-7-(hydroxymethyl)-4H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.09674 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10402 159.6
[M+Na]+ 302.08596 172.5
[M-H]- 278.08946 157.0
[M+NH4]+ 297.13056 173.1
[M+K]+ 318.05990 167.4
[M+H-H2O]+ 262.09400 151.9
[M+HCOO]- 324.09494 177.2
[M+CH3COO]- 338.11059 170.8
[M+Na-2H]- 300.07141 164.7
[M]+ 279.09619 165.8
[M]- 279.09729 165.8
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.