CID 664989

359712-75-7

Structural Information

Molecular Formula
C15H17N5O2
SMILES
CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI
InChI=1S/C15H17N5O2/c1-18(9-10-7-5-4-6-8-10)14-16-12-11(19(14)2)13(21)17-15(22)20(12)3/h4-8H,9H2,1-3H3,(H,17,21,22)
InChIKey
DLHBSSBLBWPDAV-UHFFFAOYSA-N
Compound name
8-[benzyl(methyl)amino]-3,7-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

299.1382 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14548 168.1
[M+Na]+ 322.12742 183.0
[M+NH4]+ 317.17202 173.8
[M+K]+ 338.10136 178.9
[M-H]- 298.13092 170.1
[M+Na-2H]- 320.11287 175.0
[M]+ 299.13765 170.6
[M]- 299.13875 170.6
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.