CID 11709249

Cumyluron

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂O

SMILES

CC(C)(C1=CC=CC=C1)NC(=O)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21)

InChIKey

VYNOULHXXDFBLU-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17605
Patents: 302.1186 Da
Monoisotopic Mass: 3.6
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]+	303.12588	172.9
[M+Na]+	325.10782	185.8
[M+NH4]+	320.15242	181.1
[M+K]+	341.08176	177.7
[M-H]-	301.11132	177.8
[M+Na-2H]-	323.09327	181.9
[M]+	302.11805	176.5
[M]-	302.11915	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe