CID 4461903

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

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCN(CC)C(=O)NC1=CC=C(C=C1)C

InChI

InChI=1S/C12H18N2O/c1-4-14(5-2)12(15)13-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,13,15)

InChIKey

OPBIREAJBRDHDZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.1419 Da
Monoisotopic Mass: 2.1
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]+	207.149176	148.7
[M+Na]+	229.131118	154.3
[M-H]-	205.134624	153.6
[M+NH4]+	224.175723	168.0
[M+K]+	245.105058	153.5
[M+H-H2O]+	189.139160	141.8
[M+HCOO]-	251.140101	174.3
[M+CH3COO]-	265.155751	195.4
[M+Na-2H]-	227.116566	153.1
[M]+	206.14135142	149.7
[M]-	206.14244858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe