CID 4179792

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

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O/c1-12-7-9-14(10-8-12)17-15(18)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18)

InChIKey

SERDZBSDZPDVOC-UHFFFAOYSA-N

Compound name

1-benzyl-3-(4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 240.12627 Da
Monoisotopic Mass: 2.8
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]+	241.13355	156.8
[M+Na]+	263.11549	169.7
[M+NH4]+	258.16009	165.4
[M+K]+	279.08943	161.8
[M-H]-	239.11899	162.5
[M+Na-2H]-	261.10094	166.5
[M]+	240.12572	160.2
[M]-	240.12682	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe