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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.124436	165.5
[M+Na]+	315.106378	178.6
[M-H]-	291.109884	170.2
[M+NH4]+	310.150983	177.8
[M+K]+	331.080318	175.6
[M+H-H2O]+	275.114420	156.2
[M+HCOO]-	337.115361	183.9
[M+CH3COO]-	351.131011	202.5
[M+Na-2H]-	313.091826	169.0
[M]+	292.11661142	171.6
[M]-	292.11770858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.