CID 4985948

1,1-dibutyl-3-(p-tolyl)urea

Structural Information

Molecular Formula

C₁₆H₂₆N₂O

SMILES

CCCCN(CCCC)C(=O)NC1=CC=C(C=C1)C

InChI

InChI=1S/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(19)17-15-10-8-14(3)9-11-15/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)

InChIKey

SRAWWSSZOMEQHP-UHFFFAOYSA-N

Compound name

1,1-dibutyl-3-(4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 262.2045 Da
Monoisotopic Mass: 4.0
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]+	263.21178	166.8
[M+Na]+	285.19372	176.6
[M+NH4]+	280.23832	174.1
[M+K]+	301.16766	169.5
[M-H]-	261.19722	169.8
[M+Na-2H]-	283.17917	172.1
[M]+	262.20395	168.9
[M]-	262.20505	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe