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 184.6
[M+Na]+ 355.18530 195.0
[M-H]- 331.18880 183.8
[M+NH4]+ 350.22990 192.9
[M+K]+ 371.15924 187.9
[M+H-H2O]+ 315.19334 174.2
[M+HCOO]- 377.19428 196.0
[M+CH3COO]- 391.20993 210.9
[M+Na-2H]- 353.17075 183.1
[M]+ 332.19553 184.7
[M]- 332.19663 184.7
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.