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 181.4
[M+Na]+ 360.16424 192.4
[M-H]- 336.16774 183.8
[M+NH4]+ 355.20884 190.2
[M+K]+ 376.13818 188.8
[M+H-H2O]+ 320.17228 170.9
[M+HCOO]- 382.17322 196.1
[M+CH3COO]- 396.18887 211.7
[M+Na-2H]- 358.14969 182.4
[M]+ 337.17447 187.0
[M]- 337.17557 187.0
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.