CID 96269

7192-55-4

Structural Information

Molecular Formula

C₂₀H₃₁NO₂

SMILES

CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)N(CC)CC

InChI

InChI=1S/C20H31NO2/c1-6-11-16-14-18(20(22)21(9-4)10-5)15-17(12-7-2)19(16)23-13-8-3/h8,14-15H,3,6-7,9-13H2,1-2,4-5H3

InChIKey

XBNVQHNYCVTWJQ-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-prop-2-enoxy-3,5-dipropylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 317.23547 Da
Monoisotopic Mass: 5.4
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]+	318.242746	181.2
[M+Na]+	340.224688	186.4
[M-H]-	316.228194	185.4
[M+NH4]+	335.269293	196.7
[M+K]+	356.198628	183.5
[M+H-H2O]+	300.232730	173.6
[M+HCOO]-	362.233671	203.5
[M+CH3COO]-	376.249321	218.7
[M+Na-2H]-	338.210136	179.8
[M]+	317.23492142	187.6
[M]-	317.23601858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe