CID 937961

585563-69-5

Structural Information

Molecular Formula
C15H23N5O3
SMILES
CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3
InChI
InChI=1S/C15H23N5O3/c1-4-5-20-11(10-19-6-8-23-9-7-19)16-13-12(20)14(21)18(3)15(22)17(13)2/h4-10H2,1-3H3
InChIKey
KNMARECPOIBKFX-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-propylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.18008 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18736 177.3
[M+Na]+ 344.16930 191.2
[M+NH4]+ 339.21390 181.9
[M+K]+ 360.14324 187.6
[M-H]- 320.17280 178.7
[M+Na-2H]- 342.15475 180.2
[M]+ 321.17953 179.5
[M]- 321.18063 179.5
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.