CID 3070025

1h-imidazo(2,1-f)purine-2,4(3h,8h)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl-

Structural Information

Molecular Formula
C16H15N5O3
SMILES
CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CCO)C4=CC=CC=C4
InChI
InChI=1S/C16H15N5O3/c1-19-13-12(14(23)18-16(19)24)21-9-11(10-5-3-2-4-6-10)20(7-8-22)15(21)17-13/h2-6,9,22H,7-8H2,1H3,(H,18,23,24)
InChIKey
XKCQSTJEMJCXLQ-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

325.1175 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12478 175.2
[M+Na]+ 348.10672 190.9
[M+NH4]+ 343.15132 180.4
[M+K]+ 364.08066 188.7
[M-H]- 324.11022 175.6
[M+Na-2H]- 346.09217 180.3
[M]+ 325.11695 177.4
[M]- 325.11805 177.4
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.