CID 201966

Benzamide, 4-allyloxy-3,5-dipropyl-

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

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

InChI

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

InChIKey

DDHAZJQDSCEGTA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.17288 Da
Monoisotopic Mass: 4.1
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	163.6
[M+Na]+	284.162098	170.2
[M-H]-	260.165604	166.5
[M+NH4]+	279.206703	180.4
[M+K]+	300.136038	166.6
[M+H-H2O]+	244.170140	156.9
[M+HCOO]-	306.171081	186.1
[M+CH3COO]-	320.186731	203.4
[M+Na-2H]-	282.147546	164.0
[M]+	261.17233142	166.3
[M]-	261.17342858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe