CID 3370782

1-isopropyl-3-(p-tolyl)urea

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

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

InChI

InChI=1S/C11H16N2O/c1-8(2)12-11(14)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H2,12,13,14)

InChIKey

VUZFWAUPYVYJRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 192.12627 Da
Monoisotopic Mass: 2.3
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	144.5
[M+Na]+	215.11549	150.1
[M-H]-	191.11899	148.2
[M+NH4]+	210.16009	163.6
[M+K]+	231.08943	148.6
[M+H-H2O]+	175.12353	138.0
[M+HCOO]-	237.12447	168.9
[M+CH3COO]-	251.14012	189.8
[M+Na-2H]-	213.10094	148.9
[M]+	192.12572	143.3
[M]-	192.12682	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe