CID 2822852

126679-87-6

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

COC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2/c1-19-14-9-7-13(8-10-14)17-15(18)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,16,17,18)

InChIKey

FTUQBXBQWXKLLJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 256.1212 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]+	257.12848	157.9
[M+Na]+	279.11042	163.3
[M-H]-	255.11392	164.4
[M+NH4]+	274.15502	173.8
[M+K]+	295.08436	160.1
[M+H-H2O]+	239.11846	149.6
[M+HCOO]-	301.11940	183.7
[M+CH3COO]-	315.13505	198.9
[M+Na-2H]-	277.09587	164.3
[M]+	256.12065	157.6
[M]-	256.12175	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe