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 179.2
[M+Na]+ 344.16930 190.5
[M-H]- 320.17280 181.6
[M+NH4]+ 339.21390 188.8
[M+K]+ 360.14324 186.3
[M+H-H2O]+ 304.17734 168.8
[M+HCOO]- 366.17828 193.8
[M+CH3COO]- 380.19393 209.5
[M+Na-2H]- 342.15475 180.0
[M]+ 321.17953 183.4
[M]- 321.18063 183.4
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.