CID 765482

1,1-diallyl-3-phenylurea

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

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

InChI

InChI=1S/C13H16N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H,14,16)

InChIKey

WTNHSTMLXCXNDF-UHFFFAOYSA-N

Compound name

3-phenyl-1,1-bis(prop-2-enyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 10
Patents: 216.12627 Da
Monoisotopic Mass: 2.4
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]+	217.13355	152.0
[M+Na]+	239.11549	162.1
[M+NH4]+	234.16009	159.3
[M+K]+	255.08943	155.4
[M-H]-	215.11899	154.6
[M+Na-2H]-	237.10094	158.1
[M]+	216.12572	153.8
[M]-	216.12682	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe