CID 2384416

726153-82-8

Structural Information

Molecular Formula

C₁₃H₁₈N₄O₃

SMILES

CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CO2)N

InChI

InChI=1S/C13H18N4O3/c1-2-3-6-17-11(14)10(12(18)16-13(17)19)15-8-9-5-4-7-20-9/h4-5,7,15H,2-3,6,8,14H2,1H3,(H,16,18,19)

InChIKey

WBIWFAIZIFPOOH-UHFFFAOYSA-N

Compound name

6-amino-1-butyl-5-(furan-2-ylmethylamino)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.13788 Da
Monoisotopic Mass: 0.8
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]+	279.145156	163.3
[M+Na]+	301.127098	172.1
[M-H]-	277.130604	167.3
[M+NH4]+	296.171703	176.0
[M+K]+	317.101038	168.2
[M+H-H2O]+	261.135140	154.6
[M+HCOO]-	323.136081	186.1
[M+CH3COO]-	337.151731	201.1
[M+Na-2H]-	299.112546	166.5
[M]+	278.13733142	164.6
[M]-	278.13842858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.