CID 490469

Chembl334581

Structural Information

Molecular Formula
C29H25N5O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CN=C5N4C(=O)C6=C(N5)N(C=N6)COCCO
InChI
InChI=1S/C29H25N5O3/c35-16-17-37-20-33-19-31-25-26(33)32-28-30-18-24(34(28)27(25)36)29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18-19,35H,16-17,20H2,(H,30,32)
InChIKey
HPQGNPMAIPWWCC-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-7-trityl-4H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.19574 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.20302 216.5
[M+Na]+ 514.18496 224.9
[M-H]- 490.18846 223.8
[M+NH4]+ 509.22956 219.9
[M+K]+ 530.15890 215.7
[M+H-H2O]+ 474.19300 204.0
[M+HCOO]- 536.19394 230.4
[M+CH3COO]- 550.20959 223.1
[M+Na-2H]- 512.17041 219.9
[M]+ 491.19519 219.8
[M]- 491.19629 219.8
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.