CID 6444539

Cinnamoylurea

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C10H10N2O2/c11-10(14)12-9(13)7-6-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)/b7-6+

InChIKey

JDVRHVFQVXJPIH-VOTSOKGWSA-N

Compound name

(E)-N-carbamoyl-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.07423 Da
Monoisotopic Mass: 1.6
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]+	191.08151	141.3
[M+Na]+	213.06345	147.0
[M-H]-	189.06695	144.3
[M+NH4]+	208.10805	159.6
[M+K]+	229.03739	144.6
[M+H-H2O]+	173.07149	134.7
[M+HCOO]-	235.07243	166.0
[M+CH3COO]-	249.08808	184.7
[M+Na-2H]-	211.04890	145.9
[M]+	190.07368	138.2
[M]-	190.07478	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe