CID 938466

587012-22-4

Structural Information

Molecular Formula
C15H21N5O4
SMILES
CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3
InChI
InChI=1S/C15H21N5O4/c1-10(21)8-20-11(9-19-4-6-24-7-5-19)16-13-12(20)14(22)18(3)15(23)17(13)2/h4-9H2,1-3H3
InChIKey
DCDBGFUIXWWYIQ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(2-oxopropyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15936 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 179.9
[M+Na]+ 358.14858 190.9
[M-H]- 334.15208 182.5
[M+NH4]+ 353.19318 188.7
[M+K]+ 374.12252 187.3
[M+H-H2O]+ 318.15662 169.8
[M+HCOO]- 380.15756 193.9
[M+CH3COO]- 394.17321 212.0
[M+Na-2H]- 356.13403 180.0
[M]+ 335.15881 184.3
[M]- 335.15991 184.3
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.