CID 95253

Benzhydrylurea

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C14H14N2O/c15-14(17)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H3,15,16,17)

InChIKey

NEBHYUQDMJXPPF-UHFFFAOYSA-N

Compound name

benzhydrylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 96
Patents: 226.11061 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]+	227.117886	150.9
[M+Na]+	249.099828	155.6
[M-H]-	225.103334	156.8
[M+NH4]+	244.144433	167.4
[M+K]+	265.073768	152.2
[M+H-H2O]+	209.107870	143.1
[M+HCOO]-	271.108811	175.2
[M+CH3COO]-	285.124461	193.5
[M+Na-2H]-	247.085276	156.3
[M]+	226.11006142	147.0
[M]-	226.11115858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe