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]+ 347.151376 181.0
[M+Na]+ 369.133318 195.1
[M-H]- 345.136824 184.1
[M+NH4]+ 364.177923 192.8
[M+K]+ 385.107258 188.8
[M+H-H2O]+ 329.141360 170.3
[M+HCOO]- 391.142301 200.5
[M+CH3COO]- 405.157951 215.0
[M+Na-2H]- 367.118766 182.6
[M]+ 346.14355142 188.5
[M]- 346.14464858 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.