CID 3076829

Brn 4202271

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC1=NC2=C(N1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)C
InChI
InChI=1S/C15H16N4O2/c1-10-16-12-13(17-10)19(15(21)18(2)14(12)20)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKey
ZGSALMCPKUIHQN-UHFFFAOYSA-N
Compound name
1,8-dimethyl-3-(2-phenylethyl)-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12732 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 165.7
[M+Na]+ 307.11654 181.8
[M+NH4]+ 302.16114 171.7
[M+K]+ 323.09048 176.6
[M-H]- 283.12004 167.1
[M+Na-2H]- 305.10199 172.5
[M]+ 284.12677 168.3
[M]- 284.12787 168.3
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

No patent data available for this compound.