CID 4320073

476480-34-9

Structural Information

Molecular Formula
C17H19FN4O3
SMILES
CCCOC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C17H19FN4O3/c1-4-9-25-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)10-11-5-7-12(18)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKey
YANIKOZKHOVMIU-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-propoxypurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1441 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15138 181.0
[M+Na]+ 369.13332 195.1
[M-H]- 345.13682 184.1
[M+NH4]+ 364.17792 192.8
[M+K]+ 385.10726 188.8
[M+H-H2O]+ 329.14136 170.3
[M+HCOO]- 391.14230 200.5
[M+CH3COO]- 405.15795 215.0
[M+Na-2H]- 367.11877 182.6
[M]+ 346.14355 188.5
[M]- 346.14465 188.5
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.