CID 59991750

Schembl6888384

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCOCCN(C(=O)C)C(=C(C)C)C1=CC=CC=C1

InChI

InChI=1S/C16H23NO2/c1-5-19-12-11-17(14(4)18)16(13(2)3)15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3

InChIKey

ZJDHBSYXCWMKDS-UHFFFAOYSA-N

Compound name

N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 261.17288 Da
Monoisotopic Mass: 2.9
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]+	262.180156	165.6
[M+Na]+	284.162098	169.2
[M-H]-	260.165604	169.6
[M+NH4]+	279.206703	182.3
[M+K]+	300.136038	168.2
[M+H-H2O]+	244.170140	158.2
[M+HCOO]-	306.171081	187.2
[M+CH3COO]-	320.186731	204.3
[M+Na-2H]-	282.147546	165.8
[M]+	261.17233142	168.0
[M]-	261.17342858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe