CID 120541

Imidodicarbonic diamide, n,n'-diphenyl-2-methyl-

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CN(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C15H15N3O2/c1-18(14(19)16-12-8-4-2-5-9-12)15(20)17-13-10-6-3-7-11-13/h2-11H,1H3,(H,16,19)(H,17,20)

InChIKey

LYUKNNVEFUSAPA-UHFFFAOYSA-N

Compound name

1-methyl-3-phenyl-1-(phenylcarbamoyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.11642 Da
Monoisotopic Mass: 3.2
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]+	270.123696	161.6
[M+Na]+	292.105638	165.4
[M-H]-	268.109144	169.3
[M+NH4]+	287.150243	176.9
[M+K]+	308.079578	163.7
[M+H-H2O]+	252.113680	152.7
[M+HCOO]-	314.114621	188.1
[M+CH3COO]-	328.130271	205.0
[M+Na-2H]-	290.091086	167.2
[M]+	269.11587142	160.0
[M]-	269.11696858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe