CID 853496

117099-45-3

Structural Information

Molecular Formula
C10H15N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN(C)C
InChI
InChI=1S/C10H15N5O2/c1-13(2)5-6-11-7-8(12-6)14(3)10(17)15(4)9(7)16/h5H2,1-4H3,(H,11,12)
InChIKey
PNBKDXJNLKRCBL-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

237.12257 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12985 152.1
[M+Na]+ 260.11179 165.4
[M-H]- 236.11529 153.4
[M+NH4]+ 255.15639 168.2
[M+K]+ 276.08573 161.8
[M+H-H2O]+ 220.11983 144.2
[M+HCOO]- 282.12077 173.8
[M+CH3COO]- 296.13642 197.0
[M+Na-2H]- 258.09724 156.8
[M]+ 237.12202 157.5
[M]- 237.12312 157.5
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.