CID 43047

2-(allyloxy)-5-amino-n-cyclohexylbenzamide

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

C=CCOC1=C(C=C(C=C1)N)C(=O)NC2CCCCC2

InChI

InChI=1S/C16H22N2O2/c1-2-10-20-15-9-8-12(17)11-14(15)16(19)18-13-6-4-3-5-7-13/h2,8-9,11,13H,1,3-7,10,17H2,(H,18,19)

InChIKey

YGKXXBYOXWEJIP-UHFFFAOYSA-N

Compound name

5-amino-N-cyclohexyl-2-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.16812 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]+	275.175396	165.3
[M+Na]+	297.157338	168.3
[M-H]-	273.160844	170.2
[M+NH4]+	292.201943	180.1
[M+K]+	313.131278	164.6
[M+H-H2O]+	257.165380	157.1
[M+HCOO]-	319.166321	185.9
[M+CH3COO]-	333.181971	203.5
[M+Na-2H]-	295.142786	166.4
[M]+	274.16757142	159.8
[M]-	274.16866858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.