CID 949919

476482-61-8

Structural Information

Molecular Formula
C16H24N6O2
SMILES
CCN1CCN(CC1)C2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C
InChI
InChI=1S/C16H24N6O2/c1-5-20-6-8-21(9-7-20)15-17-13-12(22(15)10-11(2)3)14(23)18-16(24)19(13)4/h2,5-10H2,1,3-4H3,(H,18,23,24)
InChIKey
KAIRTCIRXCCIBG-UHFFFAOYSA-N
Compound name
8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

332.19608 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20336 181.6
[M+Na]+ 355.18530 194.2
[M+NH4]+ 350.22990 185.2
[M+K]+ 371.15924 191.0
[M-H]- 331.18880 180.5
[M+Na-2H]- 353.17075 183.9
[M]+ 332.19553 182.7
[M]- 332.19663 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.