CID 3059109

1h-purine-2,6-dione, 3,7-dihydro-3-methyl-1-(4-oxopentyl)-7-propyl-

Structural Information

Molecular Formula
C14H20N4O3
SMILES
CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)C
InChI
InChI=1S/C14H20N4O3/c1-4-7-17-9-15-12-11(17)13(20)18(14(21)16(12)3)8-5-6-10(2)19/h9H,4-8H2,1-3H3
InChIKey
ARZOGANVDPBFCO-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-oxopentyl)-7-propylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

292.15353 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16081 168.3
[M+Na]+ 315.14275 181.2
[M+NH4]+ 310.18735 172.6
[M+K]+ 331.11669 177.7
[M-H]- 291.14625 166.4
[M+Na-2H]- 313.12820 170.9
[M]+ 292.15298 169.3
[M]- 292.15408 169.3
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

patents stripe