CID 490470

3,9-dihydro-3-((2-hydroxyethoxy)methyl)-6-ethyl-9-oxo-5h-imidazo(1,2-a)purine

Structural Information

Molecular Formula
C12H15N5O3
SMILES
CCC1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COCCO
InChI
InChI=1S/C12H15N5O3/c1-2-8-5-17-11(19)9-10(15-12(17)14-8)16(6-13-9)7-20-4-3-18/h5-6,18H,2-4,7H2,1H3,(H,14,15)
InChIKey
LMFMHIKEBCLBAD-UHFFFAOYSA-N
Compound name
6-ethyl-3-(2-hydroxyethoxymethyl)-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

277.1175 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12478 161.7
[M+Na]+ 300.10672 174.9
[M-H]- 276.11022 160.2
[M+NH4]+ 295.15132 176.1
[M+K]+ 316.08066 169.6
[M+H-H2O]+ 260.11476 153.6
[M+HCOO]- 322.11570 180.3
[M+CH3COO]- 336.13135 173.3
[M+Na-2H]- 298.09217 166.4
[M]+ 277.11695 168.6
[M]- 277.11805 168.6
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.