CID 2990390

7-(2-methoxyethyl)-1,3-dimethyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C15H23N5O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCOCC3)CCOC
InChI
InChI=1S/C15H23N5O4/c1-17-13-12(14(21)18(2)15(17)22)20(6-7-23-3)11(16-13)10-19-4-8-24-9-5-19/h4-10H2,1-3H3
InChIKey
UWBLJIVTBWPKPA-UHFFFAOYSA-N
Compound name
7-(2-methoxyethyl)-1,3-dimethyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17502 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18230 180.3
[M+Na]+ 360.16424 193.7
[M+NH4]+ 355.20884 184.3
[M+K]+ 376.13818 190.7
[M-H]- 336.16774 181.2
[M+Na-2H]- 358.14969 182.8
[M]+ 337.17447 182.2
[M]- 337.17557 182.2
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.