CID 4616042

1-isopropyl-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C11H16N2O2/c1-8(2)12-11(14)13-9-4-6-10(15-3)7-5-9/h4-8H,1-3H3,(H2,12,13,14)

InChIKey

YOPOSDNKKHJOAM-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-3-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 208.12119 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]+	209.128466	147.4
[M+Na]+	231.110408	153.0
[M-H]-	207.113914	151.1
[M+NH4]+	226.155013	165.8
[M+K]+	247.084348	152.0
[M+H-H2O]+	191.118450	140.7
[M+HCOO]-	253.119391	172.1
[M+CH3COO]-	267.135041	191.9
[M+Na-2H]-	229.095856	151.9
[M]+	208.12064142	147.7
[M]-	208.12173858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe