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

literature stripe

Patent stripe

patents stripe