CID 214270

27979-68-6

Structural Information

Molecular Formula
C14H24N6O
SMILES
CCN(CC)CC1=NC2=C(N1C)C(=O)N=C(N2C)N(C)C
InChI
InChI=1S/C14H24N6O/c1-7-20(8-2)9-10-15-12-11(18(10)5)13(21)16-14(17(3)4)19(12)6/h7-9H2,1-6H3
InChIKey
HGUVJZOEEGJSOL-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-2-(dimethylamino)-3,7-dimethylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.20117 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20845 171.3
[M+Na]+ 315.19039 182.3
[M-H]- 291.19389 174.8
[M+NH4]+ 310.23499 186.3
[M+K]+ 331.16433 180.1
[M+H-H2O]+ 275.19843 161.9
[M+HCOO]- 337.19937 194.3
[M+CH3COO]- 351.21502 218.2
[M+Na-2H]- 313.17584 174.3
[M]+ 292.20062 179.8
[M]- 292.20172 179.8
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.