CID 3076834

Brn 4204802

Structural Information

Molecular Formula
C13H20N4O4
SMILES
CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(OC)OC
InChI
InChI=1S/C13H20N4O4/c1-8(2)6-16-10-9(11(18)15(3)12(16)19)17(7-14-10)13(20-4)21-5/h7-8,13H,6H2,1-5H3
InChIKey
UVKPCTJTHWZPKV-UHFFFAOYSA-N
Compound name
7-(dimethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14847 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15575 167.1
[M+Na]+ 319.13769 179.4
[M+NH4]+ 314.18229 171.1
[M+K]+ 335.11163 177.6
[M-H]- 295.14119 164.8
[M+Na-2H]- 317.12314 169.4
[M]+ 296.14792 167.9
[M]- 296.14902 167.9
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.