CID 511653

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

Structural Information

Molecular Formula
C23H21N5O4
SMILES
C1=CC(=CC=C1CO)C2=CC=C(C=C2)C3=CN4C(=O)C5=C(N=C4N3)N(C=N5)COCCO
InChI
InChI=1S/C23H21N5O4/c29-9-10-32-14-27-13-24-20-21(27)26-23-25-19(11-28(23)22(20)31)18-7-5-17(6-8-18)16-3-1-15(12-30)2-4-16/h1-8,11,13,29-30H,9-10,12,14H2,(H,25,26)
InChIKey
RIIVSIJTZAVSOC-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-[4-[4-(hydroxymethyl)phenyl]phenyl]-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.15936 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16664 200.9
[M+Na]+ 454.14858 212.0
[M-H]- 430.15208 204.9
[M+NH4]+ 449.19318 207.4
[M+K]+ 470.12252 203.5
[M+H-H2O]+ 414.15662 190.2
[M+HCOO]- 476.15756 216.5
[M+CH3COO]- 490.17321 209.2
[M+Na-2H]- 452.13403 202.6
[M]+ 431.15881 206.5
[M]- 431.15991 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.