CID 209313

19729-83-0

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₄

SMILES

CC(CON1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C10H14N4O4/c1-6(15)4-18-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3

InChIKey

FQDAAPOUQOEUCR-UHFFFAOYSA-N

Compound name

7-(2-hydroxypropoxy)-1,3-dimethylpurine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.1015 Da
Monoisotopic Mass: 0.1
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]+	255.108776	153.5
[M+Na]+	277.090718	166.7
[M-H]-	253.094224	153.4
[M+NH4]+	272.135323	168.3
[M+K]+	293.064658	163.7
[M+H-H2O]+	237.098760	145.9
[M+HCOO]-	299.099701	172.9
[M+CH3COO]-	313.115351	193.9
[M+Na-2H]-	275.076166	157.3
[M]+	254.10095142	160.5
[M]-	254.10204858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.