CID 4340131

730949-82-3

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₃

SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)CCOC

InChI

InChI=1S/C12H18N4O3/c1-8(2)6-16-10-9(11(17)14-12(16)18)15(7-13-10)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,17,18)

InChIKey

CZNGILBQGZRXPV-UHFFFAOYSA-N

Compound name

7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.13788 Da
Monoisotopic Mass: 0.3
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]+	267.145156	160.0
[M+Na]+	289.127098	171.7
[M-H]-	265.130604	159.1
[M+NH4]+	284.171703	174.1
[M+K]+	305.101038	167.6
[M+H-H2O]+	249.135140	151.8
[M+HCOO]-	311.136081	178.6
[M+CH3COO]-	325.151731	196.3
[M+Na-2H]-	287.112546	163.3
[M]+	266.13733142	165.9
[M]-	266.13842858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.