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 170.6
[M+Na]+ 315.17912 181.8
[M-H]- 291.18262 169.8
[M+NH4]+ 310.22372 184.1
[M+K]+ 331.15306 176.9
[M+H-H2O]+ 275.18716 162.6
[M+HCOO]- 337.18810 187.1
[M+CH3COO]- 351.20375 205.2
[M+Na-2H]- 313.16457 170.6
[M]+ 292.18935 176.0
[M]- 292.19045 176.0
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