CID 3079803

126480-56-6

Structural Information

Molecular Formula
C15H22N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=N)N3CCCCC3
InChI
InChI=1S/C15H22N6O2/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)9-6-11(16)20-7-4-3-5-8-20/h10,16H,3-9H2,1-2H3
InChIKey
FUWBDAIGCOGIDN-UHFFFAOYSA-N
Compound name
7-(3-imino-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.18042 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18770 177.5
[M+Na]+ 341.16964 187.0
[M-H]- 317.17314 179.2
[M+NH4]+ 336.21424 187.9
[M+K]+ 357.14358 181.3
[M+H-H2O]+ 301.17768 167.0
[M+HCOO]- 363.17862 193.2
[M+CH3COO]- 377.19427 210.4
[M+Na-2H]- 339.15509 178.7
[M]+ 318.17987 177.5
[M]- 318.18097 177.5
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.