CID 511654

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

Structural Information

Molecular Formula
C22H19N5O4
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)O)C3=CN4C(=O)C5=C(N=C4N3)N(C=N5)COCCO
InChI
InChI=1S/C22H19N5O4/c28-9-10-31-13-26-12-23-19-20(26)25-22-24-18(11-27(22)21(19)30)16-3-1-14(2-4-16)15-5-7-17(29)8-6-15/h1-8,11-12,28-29H,9-10,13H2,(H,24,25)
InChIKey
MPHRGIHUUMOKDW-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-[4-(4-hydroxyphenyl)phenyl]-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.1437 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15098 196.8
[M+Na]+ 440.13292 208.3
[M-H]- 416.13642 201.0
[M+NH4]+ 435.17752 203.8
[M+K]+ 456.10686 200.1
[M+H-H2O]+ 400.14096 186.3
[M+HCOO]- 462.14190 212.7
[M+CH3COO]- 476.15755 205.5
[M+Na-2H]- 438.11837 199.0
[M]+ 417.14315 202.1
[M]- 417.14425 202.1
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.