CID 3061950

80020-23-1

Structural Information

Molecular Formula
C16H23N5O5
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCC(O3)CN4CCOCC4
InChI
InChI=1S/C16H23N5O5/c1-18-14-13(15(22)19(2)16(18)23)21(10-17-14)8-12-25-9-11(26-12)7-20-3-5-24-6-4-20/h10-12H,3-9H2,1-2H3
InChIKey
PASPNMNFZXXSGT-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[[4-(morpholin-4-ylmethyl)-1,3-dioxolan-2-yl]methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16992 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17720 184.2
[M+Na]+ 388.15914 196.9
[M+NH4]+ 383.20374 188.1
[M+K]+ 404.13308 197.5
[M-H]- 364.16264 189.0
[M+Na-2H]- 386.14459 185.5
[M]+ 365.16937 187.1
[M]- 365.17047 187.1
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.