CID 13906

N,n-diethyl-n'-phenylurea

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

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

InChI

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

InChIKey

ZFJBSYYIOPSWAE-UHFFFAOYSA-N

Compound name

1,1-diethyl-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 192.12627 Da
Monoisotopic Mass: 1.8
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]+	193.133546	144.4
[M+Na]+	215.115488	149.5
[M-H]-	191.118994	149.1
[M+NH4]+	210.160093	163.9
[M+K]+	231.089428	148.8
[M+H-H2O]+	175.123530	137.4
[M+HCOO]-	237.124471	170.3
[M+CH3COO]-	251.140121	191.2
[M+Na-2H]-	213.100936	150.0
[M]+	192.12572142	144.7
[M]-	192.12681858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe