CID 3076823

Brn 4192393

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC(C)(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI
InChI=1S/C11H16N4O2/c1-11(2,3)5-15-8-7(12-6-13-8)9(16)14(4)10(15)17/h6H,5H2,1-4H3,(H,12,13)
InChIKey
DAEMLJFQJOQHQV-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)-1-methyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 153.2
[M+Na]+ 259.11654 166.3
[M+NH4]+ 254.16114 158.5
[M+K]+ 275.09048 163.7
[M-H]- 235.12004 151.2
[M+Na-2H]- 257.10199 157.2
[M]+ 236.12677 154.3
[M]- 236.12787 154.3
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.