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]+ 297.155746 165.8
[M+Na]+ 319.137688 177.8
[M-H]- 295.141194 166.7
[M+NH4]+ 314.182293 179.5
[M+K]+ 335.111628 175.5
[M+H-H2O]+ 279.145730 157.6
[M+HCOO]- 341.146671 184.8
[M+CH3COO]- 355.162321 206.0
[M+Na-2H]- 317.123136 167.5
[M]+ 296.14792142 175.1
[M]- 296.14901858 175.1
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.