CID 706019

126480-55-5

Structural Information

Molecular Formula
C14H20N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=N)N3CCOCC3
InChI
InChI=1S/C14H20N6O3/c1-17-12-11(13(21)18(2)14(17)22)20(9-16-12)4-3-10(15)19-5-7-23-8-6-19/h9,15H,3-8H2,1-2H3
InChIKey
SJBFNXQSOAGOPH-UHFFFAOYSA-N
Compound name
7-(3-imino-3-morpholin-4-ylpropyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1597 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16698 177.2
[M+Na]+ 343.14892 187.2
[M-H]- 319.15242 179.7
[M+NH4]+ 338.19352 186.2
[M+K]+ 359.12286 183.1
[M+H-H2O]+ 303.15696 166.8
[M+HCOO]- 365.15790 192.5
[M+CH3COO]- 379.17355 210.0
[M+Na-2H]- 341.13437 179.1
[M]+ 320.15915 178.8
[M]- 320.16025 178.8
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.