CID 4610558

133611-86-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N

InChI

InChI=1S/C11H16N2O/c1-3-8-6-5-7-9(4-2)10(8)13-11(12)14/h5-7H,3-4H2,1-2H3,(H3,12,13,14)

InChIKey

CBJMZSAIWVLPHX-UHFFFAOYSA-N

Compound name

(2,6-diethylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 192.12627 Da
Monoisotopic Mass: 1.3
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]+	193.13355	144.0
[M+Na]+	215.11549	150.8
[M-H]-	191.11899	147.4
[M+NH4]+	210.16009	163.1
[M+K]+	231.08943	148.4
[M+H-H2O]+	175.12353	137.7
[M+HCOO]-	237.12447	168.7
[M+CH3COO]-	251.14012	190.2
[M+Na-2H]-	213.10094	147.9
[M]+	192.12572	142.8
[M]-	192.12682	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe