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]+ 238.129846 152.1
[M+Na]+ 260.111788 165.4
[M-H]- 236.115294 153.4
[M+NH4]+ 255.156393 168.2
[M+K]+ 276.085728 161.8
[M+H-H2O]+ 220.119830 144.2
[M+HCOO]- 282.120771 173.8
[M+CH3COO]- 296.136421 197.0
[M+Na-2H]- 258.097236 156.8
[M]+ 237.12202142 157.5
[M]- 237.12311858 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.