CID 158952

Urea, n-methyl-n'-(2-methylphenyl)-n-phenyl-

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=CC=CC=C1NC(=O)N(C)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O/c1-12-8-6-7-11-14(12)16-15(18)17(2)13-9-4-3-5-10-13/h3-11H,1-2H3,(H,16,18)

InChIKey

VRLIECFDCLNVLR-UHFFFAOYSA-N

Compound name

1-methyl-3-(2-methylphenyl)-1-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.12627 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]+	241.133546	155.3
[M+Na]+	263.115488	160.9
[M-H]-	239.118994	163.3
[M+NH4]+	258.160093	172.6
[M+K]+	279.089428	158.6
[M+H-H2O]+	223.123530	147.1
[M+HCOO]-	285.124471	181.3
[M+CH3COO]-	299.140121	200.1
[M+Na-2H]-	261.100936	160.9
[M]+	240.12572142	154.9
[M]-	240.12681858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe