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]+ 300.145476 169.4
[M+Na]+ 322.127418 181.6
[M-H]- 298.130924 173.6
[M+NH4]+ 317.172023 182.3
[M+K]+ 338.101358 176.1
[M+H-H2O]+ 282.135460 159.6
[M+HCOO]- 344.136401 190.6
[M+CH3COO]- 358.152051 181.2
[M+Na-2H]- 320.112866 173.8
[M]+ 299.13765142 173.9
[M]- 299.13874858 173.9
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.