CID 58242

101265-52-5

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-4-18-13(17)15(10-12(16)14(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3

InChIKey

KKKOWMCMYOJAPU-UHFFFAOYSA-N

Compound name

ethyl N-[2-(dimethylamino)-2-oxoethyl]-N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.13174 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]+	251.139016	158.8
[M+Na]+	273.120958	163.1
[M-H]-	249.124464	164.7
[M+NH4]+	268.165563	176.3
[M+K]+	289.094898	164.5
[M+H-H2O]+	233.129000	151.0
[M+HCOO]-	295.129941	184.2
[M+CH3COO]-	309.145591	204.2
[M+Na-2H]-	271.106406	161.4
[M]+	250.13119142	162.5
[M]-	250.13228858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe