CID 511652

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

Structural Information

Molecular Formula
C22H18FN5O3
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CN4C(=O)C5=C(N=C4N3)N(C=N5)COCCO
InChI
InChI=1S/C22H18FN5O3/c23-17-7-5-15(6-8-17)14-1-3-16(4-2-14)18-11-28-21(30)19-20(26-22(28)25-18)27(12-24-19)13-31-10-9-29/h1-8,11-12,29H,9-10,13H2,(H,25,26)
InChIKey
XDBBFCPRAIANIL-UHFFFAOYSA-N
Compound name
6-[4-(4-fluorophenyl)phenyl]-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

419.13937 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14665 197.5
[M+Na]+ 442.12859 210.0
[M-H]- 418.13209 201.5
[M+NH4]+ 437.17319 205.2
[M+K]+ 458.10253 200.9
[M+H-H2O]+ 402.13663 185.7
[M+HCOO]- 464.13757 213.7
[M+CH3COO]- 478.15322 206.4
[M+Na-2H]- 440.11404 199.1
[M]+ 419.13882 202.3
[M]- 419.13992 202.3
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.