CID 33603

1,1-diphenylurea

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

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

InChI

InChI=1S/C13H12N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)

InChIKey

XKAFKUGMXFMRCC-UHFFFAOYSA-N

Compound name

1,1-diphenylurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 34
References: 4266
Patents: 212.09496 Da
Monoisotopic Mass: 1.5
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]+	213.10224	147.6
[M+Na]+	235.08418	160.4
[M+NH4]+	230.12878	156.5
[M+K]+	251.05812	153.6
[M-H]-	211.08768	153.5
[M+Na-2H]-	233.06963	157.8
[M]+	212.09441	151.0
[M]-	212.09551	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe