CID 3076833

Brn 4199764

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CC(C)C
InChI
InChI=1S/C15H24N4O2/c1-6-11-16-12-13(17-11)18(7-9(2)3)15(21)19(14(12)20)8-10(4)5/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKey
VUKGEIDHBPXCHL-UHFFFAOYSA-N
Compound name
8-ethyl-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1899 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 170.7
[M+Na]+ 315.17912 183.0
[M+NH4]+ 310.22372 175.2
[M+K]+ 331.15306 179.9
[M-H]- 291.18262 168.8
[M+Na-2H]- 313.16457 172.7
[M]+ 292.18935 171.6
[M]- 292.19045 171.6
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.