CID 5276650

6-(4-fluorophenyl)-3-(2-hydroxyethoxymethyl)-7-methyl-5h-imidazo[1,2-a]purin-9-one

Structural Information

Molecular Formula
C17H16FN5O3
SMILES
CC1=C(NC2=NC3=C(C(=O)N12)N=CN3COCCO)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H16FN5O3/c1-10-13(11-2-4-12(18)5-3-11)20-17-21-15-14(16(25)23(10)17)19-8-22(15)9-26-7-6-24/h2-5,8,24H,6-7,9H2,1H3,(H,20,21)
InChIKey
FMYFLQOXRLJECF-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-3-(2-hydroxyethoxymethyl)-7-methyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.12372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13100 182.0
[M+Na]+ 380.11294 195.8
[M-H]- 356.11644 183.0
[M+NH4]+ 375.15754 193.0
[M+K]+ 396.08688 188.2
[M+H-H2O]+ 340.12098 171.9
[M+HCOO]- 402.12192 198.9
[M+CH3COO]- 416.13757 192.3
[M+Na-2H]- 378.09839 184.1
[M]+ 357.12317 187.9
[M]- 357.12427 187.9
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.