CID 648171

476482-13-0

Structural Information

Molecular Formula
C13H19N5O3
SMILES
CC(=C)CN1C2=C(N=C1NCCOC)N(C(=O)NC2=O)C
InChI
InChI=1S/C13H19N5O3/c1-8(2)7-18-9-10(15-12(18)14-5-6-21-4)17(3)13(20)16-11(9)19/h1,5-7H2,2-4H3,(H,14,15)(H,16,19,20)
InChIKey
IBWDWWCPWDYOFY-UHFFFAOYSA-N
Compound name
8-(2-methoxyethylamino)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

293.1488 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15608 167.8
[M+Na]+ 316.13802 179.1
[M+NH4]+ 311.18262 171.4
[M+K]+ 332.11196 176.6
[M-H]- 292.14152 165.7
[M+Na-2H]- 314.12347 169.8
[M]+ 293.14825 168.3
[M]- 293.14935 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

literature stripe

Patent stripe

No patent data available for this compound.