CID 154699871

Ns00117597

Structural Information

Molecular Formula
C15H22N4O3
SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2CC3CCCCC3)C)CO
InChI
InChI=1S/C15H22N4O3/c1-17-11(9-20)16-13-12(17)14(21)18(2)15(22)19(13)8-10-6-4-3-5-7-10/h10,20H,3-9H2,1-2H3
InChIKey
PCPMKBBRSWHCAD-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethyl)-8-(hydroxymethyl)-1,7-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.17648 173.2
[M+Na]+ 329.15842 183.8
[M-H]- 305.16192 175.1
[M+NH4]+ 324.20302 185.5
[M+K]+ 345.13236 178.4
[M+H-H2O]+ 289.16646 163.9
[M+HCOO]- 351.16740 188.7
[M+CH3COO]- 365.18305 204.0
[M+Na-2H]- 327.14387 173.8
[M]+ 306.16865 174.7
[M]- 306.16975 174.7
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.