CID 5278264

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

Structural Information

Molecular Formula
C22H19N5O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN4C(=O)C5=C(N=C4N3)N(C=N5)COCCO
InChI
InChI=1S/C22H19N5O3/c28-10-11-30-14-26-13-23-19-20(26)25-22-24-18(12-27(22)21(19)29)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,28H,10-11,14H2,(H,24,25)
InChIKey
AJNKBCXCPVRBBQ-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-(4-phenylphenyl)-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.1488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.15608 193.7
[M+Na]+ 424.13802 205.2
[M-H]- 400.14152 198.6
[M+NH4]+ 419.18262 201.9
[M+K]+ 440.11196 196.7
[M+H-H2O]+ 384.14606 182.6
[M+HCOO]- 446.14700 211.0
[M+CH3COO]- 460.16265 202.9
[M+Na-2H]- 422.12347 196.6
[M]+ 401.14825 198.9
[M]- 401.14935 198.9
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.