CID 2823047

13143-13-0

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=CC=CC=C1NC(=O)NCC2=CC=CC=C2

InChI

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

InChIKey

DUCNVZUQNXDTEG-UHFFFAOYSA-N

Compound name

1-benzyl-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 240.12627 Da
Monoisotopic Mass: 2.2
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	154.9
[M+Na]+	263.115488	160.4
[M-H]-	239.118994	161.4
[M+NH4]+	258.160093	171.6
[M+K]+	279.089428	156.6
[M+H-H2O]+	223.123530	146.9
[M+HCOO]-	285.124471	180.4
[M+CH3COO]-	299.140121	196.7
[M+Na-2H]-	261.100936	161.2
[M]+	240.12572142	153.2
[M]-	240.12681858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe