CID 5276656

3-(2-hydroxyethoxymethyl)-6-(4-methoxyphenyl)-7-methyl-5h-imidazo[1,2-a]purin-9-one

Structural Information

Molecular Formula
C18H19N5O4
SMILES
CC1=C(NC2=NC3=C(C(=O)N12)N=CN3COCCO)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H19N5O4/c1-11-14(12-3-5-13(26-2)6-4-12)20-18-21-16-15(17(25)23(11)18)19-9-22(16)10-27-8-7-24/h3-6,9,24H,7-8,10H2,1-2H3,(H,20,21)
InChIKey
SALRIFLHABMSOV-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-(4-methoxyphenyl)-7-methyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1437 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15098 186.4
[M+Na]+ 392.13292 199.3
[M-H]- 368.13642 188.7
[M+NH4]+ 387.17752 196.8
[M+K]+ 408.10686 192.9
[M+H-H2O]+ 352.14096 177.0
[M+HCOO]- 414.14190 204.2
[M+CH3COO]- 428.15755 196.7
[M+Na-2H]- 390.11837 188.7
[M]+ 369.14315 194.8
[M]- 369.14425 194.8
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.