CID 240167

6341-37-3

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂

SMILES

CC1=C(C=C(C=C1)C(C)C)NC(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C18H22N2O2/c1-12(2)14-10-9-13(3)16(11-14)20-18(21)19-15-7-5-6-8-17(15)22-4/h5-12H,1-4H3,(H2,19,20,21)

InChIKey

YIOZSFNDGMKRKF-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 298.16812 Da
Monoisotopic Mass: 3.9
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]+	299.175396	172.4
[M+Na]+	321.157338	178.0
[M-H]-	297.160844	179.2
[M+NH4]+	316.201943	187.2
[M+K]+	337.131278	174.9
[M+H-H2O]+	281.165380	164.0
[M+HCOO]-	343.166321	196.1
[M+CH3COO]-	357.181971	211.2
[M+Na-2H]-	319.142786	174.4
[M]+	298.16757142	173.4
[M]-	298.16866858	173.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.