CID 5276655

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

Structural Information

Molecular Formula
C23H21N5O3
SMILES
C1=CC=C(C=C1)CC2=C(NC3=NC4=C(C(=O)N23)N=CN4COCCO)C5=CC=CC=C5
InChI
InChI=1S/C23H21N5O3/c29-11-12-31-15-27-14-24-20-21(27)26-23-25-19(17-9-5-2-6-10-17)18(28(23)22(20)30)13-16-7-3-1-4-8-16/h1-10,14,29H,11-13,15H2,(H,25,26)
InChIKey
RRKSUSVCXBXGJZ-UHFFFAOYSA-N
Compound name
7-benzyl-3-(2-hydroxyethoxymethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.16443 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17171 197.8
[M+Na]+ 438.15365 208.9
[M-H]- 414.15715 202.6
[M+NH4]+ 433.19825 205.4
[M+K]+ 454.12759 200.2
[M+H-H2O]+ 398.16169 186.5
[M+HCOO]- 460.16263 214.8
[M+CH3COO]- 474.17828 206.6
[M+Na-2H]- 436.13910 200.3
[M]+ 415.16388 203.3
[M]- 415.16498 203.3
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.