CID 52355

73747-34-9

Structural Information

Molecular Formula
C13H16N4O4
SMILES
CN1C2=C(N=C1OC3CCC=CO3)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C13H16N4O4/c1-15-9-10(16(2)13(19)17(3)11(9)18)14-12(15)21-8-6-4-5-7-20-8/h5,7-8H,4,6H2,1-3H3
InChIKey
GPWXHOLHOLBUHO-UHFFFAOYSA-N
Compound name
8-(3,4-dihydro-2H-pyran-2-yloxy)-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.11716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12444 165.5
[M+Na]+ 315.10638 178.6
[M-H]- 291.10988 170.2
[M+NH4]+ 310.15098 177.8
[M+K]+ 331.08032 175.6
[M+H-H2O]+ 275.11442 156.2
[M+HCOO]- 337.11536 183.9
[M+CH3COO]- 351.13101 202.5
[M+Na-2H]- 313.09183 169.0
[M]+ 292.11661 171.6
[M]- 292.11771 171.6
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.