CID 6445208

2-phenylcrotonyl urea

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C/C=C(\C1=CC=CC=C1)/C(=O)NC(=O)N

InChI

InChI=1S/C11H12N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h2-7H,1H3,(H3,12,13,14,15)/b9-2+

InChIKey

YADJEVFNQHNUSD-XNWCZRBMSA-N

Compound name

(E)-N-carbamoyl-2-phenylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 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]+	205.09715	146.4
[M+Na]+	227.07909	151.4
[M-H]-	203.08259	149.3
[M+NH4]+	222.12369	164.1
[M+K]+	243.05303	149.4
[M+H-H2O]+	187.08713	139.7
[M+HCOO]-	249.08807	169.8
[M+CH3COO]-	263.10372	188.6
[M+Na-2H]-	225.06454	149.2
[M]+	204.08932	143.0
[M]-	204.09042	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.