CID 490458

Chembl135407

Structural Information

Molecular Formula
C18H19N5O5
SMILES
COC1=CC(=C(C=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO)OC
InChI
InChI=1S/C18H19N5O5/c1-26-11-3-4-12(14(7-11)27-2)13-8-23-17(25)15-16(21-18(23)20-13)22(9-19-15)10-28-6-5-24/h3-4,7-9,24H,5-6,10H2,1-2H3,(H,20,21)
InChIKey
CQKSJJDKIDKICG-UHFFFAOYSA-N
Compound name
6-(2,4-dimethoxyphenyl)-3-(2-hydroxyethoxymethyl)-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.1386 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14588 188.2
[M+Na]+ 408.12782 200.6
[M-H]- 384.13132 190.5
[M+NH4]+ 403.17242 197.8
[M+K]+ 424.10176 195.0
[M+H-H2O]+ 368.13586 178.7
[M+HCOO]- 430.13680 206.0
[M+CH3COO]- 444.15245 198.3
[M+Na-2H]- 406.11327 190.8
[M]+ 385.13805 197.9
[M]- 385.13915 197.9
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.