CID 204000

15563-03-8

Structural Information

Molecular Formula

C₁₁H₁₆N₄O₂

SMILES

CCCCNC(=O)NNC(=O)C1=CC=NC=C1

InChI

InChI=1S/C11H16N4O2/c1-2-3-6-13-11(17)15-14-10(16)9-4-7-12-8-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,16)(H2,13,15,17)

InChIKey

DBIBZOIPPZTLEA-UHFFFAOYSA-N

Compound name

1-butyl-3-(pyridine-4-carbonylamino)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.12732 Da
Monoisotopic Mass: 0.7
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]+	237.134596	154.0
[M+Na]+	259.116538	158.1
[M-H]-	235.120044	155.8
[M+NH4]+	254.161143	169.2
[M+K]+	275.090478	156.4
[M+H-H2O]+	219.124580	145.6
[M+HCOO]-	281.125521	178.6
[M+CH3COO]-	295.141171	196.4
[M+Na-2H]-	257.101986	159.8
[M]+	236.12677142	152.7
[M]-	236.12786858	152.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.