CID 5276648

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

Structural Information

Molecular Formula
C16H14FN5O3
SMILES
C1=CC(=CC=C1C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO)F
InChI
InChI=1S/C16H14FN5O3/c17-11-3-1-10(2-4-11)12-7-22-15(24)13-14(20-16(22)19-12)21(8-18-13)9-25-6-5-23/h1-4,7-8,23H,5-6,9H2,(H,19,20)
InChIKey
XOMKFUKDEKKJTD-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-3-(2-hydroxyethoxymethyl)-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.10806 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11534 176.1
[M+Na]+ 366.09728 189.5
[M-H]- 342.10078 177.0
[M+NH4]+ 361.14188 187.5
[M+K]+ 382.07122 182.2
[M+H-H2O]+ 326.10532 165.9
[M+HCOO]- 388.10626 193.5
[M+CH3COO]- 402.12191 186.6
[M+Na-2H]- 364.08273 179.6
[M]+ 343.10751 181.3
[M]- 343.10861 181.3
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.