CID 5276651

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

Structural Information

Molecular Formula
C23H20FN5O3
SMILES
C1=CC=C(C=C1)C2=C(N3C(=O)C4=C(N=C3N2)N(C=N4)COCCO)CC5=CC=C(C=C5)F
InChI
InChI=1S/C23H20FN5O3/c24-17-8-6-15(7-9-17)12-18-19(16-4-2-1-3-5-16)26-23-27-21-20(22(31)29(18)23)25-13-28(21)14-32-11-10-30/h1-9,13,30H,10-12,14H2,(H,26,27)
InChIKey
YZOWFWLRHDNNFV-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-3-(2-hydroxyethoxymethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.15503 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16231 201.7
[M+Na]+ 456.14425 213.6
[M-H]- 432.14775 205.5
[M+NH4]+ 451.18885 208.8
[M+K]+ 472.11819 204.5
[M+H-H2O]+ 416.15229 189.7
[M+HCOO]- 478.15323 217.6
[M+CH3COO]- 492.16888 210.2
[M+Na-2H]- 454.12970 202.8
[M]+ 433.15448 206.8
[M]- 433.15558 206.8
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.