CID 95820

4-allyloxy-3,5-diisopropylbenzamide

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CC(C)C1=CC(=CC(=C1OCC=C)C(C)C)C(=O)N

InChI

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

InChIKey

IOOQHHCRMGOYJW-UHFFFAOYSA-N

Compound name

3,5-di(propan-2-yl)-4-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 261.17288 Da
Monoisotopic Mass: 3.7
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	169.7
[M-H]-	260.165604	166.7
[M+NH4]+	279.206703	180.3
[M+K]+	300.136038	167.2
[M+H-H2O]+	244.170140	157.2
[M+HCOO]-	306.171081	184.1
[M+CH3COO]-	320.186731	205.2
[M+Na-2H]-	282.147546	161.5
[M]+	261.17233142	165.1
[M]-	261.17342858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe