CID 69049

4,4-diphenylsemicarbazide

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

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

InChI

InChI=1S/C13H13N3O/c14-15-13(17)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2,(H,15,17)

InChIKey

VVVFQQJJJRFDTE-UHFFFAOYSA-N

Compound name

3-amino-1,1-diphenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 227.10587 Da
Monoisotopic Mass: 1.8
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]+	228.11315	152.0
[M+Na]+	250.09509	163.4
[M+NH4]+	245.13969	160.3
[M+K]+	266.06903	157.0
[M-H]-	226.09859	158.0
[M+Na-2H]-	248.08054	161.7
[M]+	227.10532	155.1
[M]-	227.10642	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe