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: 80
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]+	227.11789	152.6
[M+Na]+	249.09983	164.5
[M+NH4]+	244.14443	160.9
[M+K]+	265.07377	157.8
[M-H]-	225.10333	157.8
[M+Na-2H]-	247.08528	161.8
[M]+	226.11006	155.6
[M]-	226.11116	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe