CID 686691

126480-53-3

Structural Information

Molecular Formula
C14H20N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=N)N3CCCCC3
InChI
InChI=1S/C14H20N6O2/c1-17-12-11(13(21)18(2)14(17)22)20(9-16-12)8-10(15)19-6-4-3-5-7-19/h9,15H,3-8H2,1-2H3
InChIKey
KVNNGNJWDADMQH-UHFFFAOYSA-N
Compound name
7-(2-imino-2-piperidin-1-ylethyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.16476 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17204 173.2
[M+Na]+ 327.15398 183.2
[M-H]- 303.15748 175.1
[M+NH4]+ 322.19858 184.2
[M+K]+ 343.12792 177.7
[M+H-H2O]+ 287.16202 162.9
[M+HCOO]- 349.16296 189.3
[M+CH3COO]- 363.17861 207.5
[M+Na-2H]- 325.13943 174.9
[M]+ 304.16421 172.9
[M]- 304.16531 172.9
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.