CID 3051652

1-ethyl-3-phenethylurea

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CCNC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C11H16N2O/c1-2-12-11(14)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,13,14)

InChIKey

PIZUZKARBBXDME-UHFFFAOYSA-N

Compound name

1-ethyl-3-(2-phenylethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 192.12627 Da
Monoisotopic Mass: 1.7
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]+	193.13355	144.8
[M+Na]+	215.11549	155.0
[M+NH4]+	210.16009	152.7
[M+K]+	231.08943	148.4
[M-H]-	191.11899	147.6
[M+Na-2H]-	213.10094	151.4
[M]+	192.12572	146.8
[M]-	192.12682	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe