CID 101796405

Dtxsid001338470

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

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

InChI

InChI=1S/C14H13N3O2/c15-13(18)17(12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10H,(H2,15,18)(H,16,19)

InChIKey

DAPGCGXGHKENJV-UHFFFAOYSA-N

Compound name

1-carbamoyl-1,3-diphenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.10077 Da
Monoisotopic Mass: 2.0
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]+	256.108046	157.2
[M+Na]+	278.089988	161.4
[M-H]-	254.093494	164.5
[M+NH4]+	273.134593	172.7
[M+K]+	294.063928	159.6
[M+H-H2O]+	238.098030	148.5
[M+HCOO]-	300.098971	183.4
[M+CH3COO]-	314.114621	202.1
[M+Na-2H]-	276.075436	162.2
[M]+	255.10022142	154.3
[M]-	255.10131858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.