CID 99310

Uracil, 6-(p-butylanilino)-

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

CCCCC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2

InChI

InChI=1S/C14H17N3O2/c1-2-3-4-10-5-7-11(8-6-10)15-12-9-13(18)17-14(19)16-12/h5-9H,2-4H2,1H3,(H3,15,16,17,18,19)

InChIKey

XIKQUZTWHPFJKG-UHFFFAOYSA-N

Compound name

6-(4-butylanilino)-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6
Patents: 259.13208 Da
Monoisotopic Mass: 2.7
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]+	260.13936	159.1
[M+Na]+	282.12130	167.2
[M-H]-	258.12480	160.8
[M+NH4]+	277.16590	171.6
[M+K]+	298.09524	160.8
[M+H-H2O]+	242.12934	150.3
[M+HCOO]-	304.13028	179.5
[M+CH3COO]-	318.14593	193.6
[M+Na-2H]-	280.10675	164.5
[M]+	259.13153	157.3
[M]-	259.13263	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe