CID 1676

Enprofylline

Structural Information

Molecular Formula

C₈H₁₀N₄O₂

SMILES

CCCN1C2=C(C(=O)NC1=O)NC=N2

InChI

InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)

InChIKey

SIQPXVQCUCHWDI-UHFFFAOYSA-N

Compound name

3-propyl-7H-purine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 240
References: 1871
Patents: 194.08037 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]+	195.08765	140.0
[M+Na]+	217.06959	153.2
[M+NH4]+	212.11419	145.6
[M+K]+	233.04353	150.0
[M-H]-	193.07309	138.0
[M+Na-2H]-	215.05504	144.4
[M]+	194.07982	141.0
[M]-	194.08092	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe