CID 4753

Phenacemide

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)

InChIKey

XPFRXWCVYUEORT-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 92
References: 10695
Patents: 178.07423 Da
Monoisotopic Mass: 0.9
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]+	179.08151	137.6
[M+Na]+	201.06345	143.4
[M-H]-	177.06695	140.7
[M+NH4]+	196.10805	156.5
[M+K]+	217.03739	141.9
[M+H-H2O]+	161.07149	131.1
[M+HCOO]-	223.07243	162.5
[M+CH3COO]-	237.08808	183.2
[M+Na-2H]-	199.04890	142.8
[M]+	178.07368	135.0
[M]-	178.07478	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe